AG12646
338747-41-4 | 1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG12646
ChemicalName
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber
338747-41-4
MolecularFormula
C18H15NO4
MolecularWeight
309.316
MdlNumber
MFCD01315710
Smiles
COc1ccc(cc1)Cn1cc(C(=O)O)c(=O)c2c1cccc2
Complexity
493
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.4
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CatalogNumber: AG12646
ChemicalName: 1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber: 338747-41-4
MolecularFormula: C18H15NO4
MolecularWeight: 309.316
MdlNumber: MFCD01315710
Smiles: COc1ccc(cc1)Cn1cc(C(=O)O)c(=O)c2c1cccc2
Complexity: 493
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AG12646
ChemicalName:
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber:
338747-41-4
MolecularFormula:
C18H15NO4
MolecularWeight:
309.316
MdlNumber:
MFCD01315710
Smiles:
COc1ccc(cc1)Cn1cc(C(=O)O)c(=O)c2c1cccc2
Complexity:
493
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4
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Smiles: O=Cc1cn(c2c1c(Br)ccc2)C
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O=Cc1cn(c2c1c(Br)ccc2)C
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Smiles: Clc1cccc(c1Cn1cc(ccc1=O)C(=O)O)Cl
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Clc1cccc(c1Cn1cc(ccc1=O)C(=O)O)Cl
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Smiles: OC(=O)c1ccc(=O)n(c1)Cc1ccc(cc1)C(F)(F)F
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Smiles:
OC(=O)c1ccc(=O)n(c1)Cc1ccc(cc1)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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