AD55442
26906-40-1 | Ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD55442
ChemicalName
Ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
CasNumber
26906-40-1
MolecularFormula
C12H13NO3
MolecularWeight
219.2365
MdlNumber
MFCD00483647
Smiles
CCOC(=O)C1Cc2ccccc2NC1=O
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AD55442
ChemicalName: Ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
CasNumber: 26906-40-1
MolecularFormula: C12H13NO3
MolecularWeight: 219.2365
MdlNumber: MFCD00483647
Smiles: CCOC(=O)C1Cc2ccccc2NC1=O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AD55442
ChemicalName:
Ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
CasNumber:
26906-40-1
MolecularFormula:
C12H13NO3
MolecularWeight:
219.2365
MdlNumber:
MFCD00483647
Smiles:
CCOC(=O)C1Cc2ccccc2NC1=O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: COc1ccc(c(n1)C=O)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
COc1ccc(c(n1)C=O)Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: CCN(c1ccc(cc1)N=Nc1n[nH]cn1)CC
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
CCN(c1ccc(cc1)N=Nc1n[nH]cn1)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCOc1ccc(cc1)C(=O)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOc1ccc(cc1)C(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__