AB55337
1072944-93-4 | (E)-3-(4-Hydroxy-8-methoxy-2-methylquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide
Manufacturer: A2B Chem
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CatalogNumber
AB55337
ChemicalName
(E)-3-(4-Hydroxy-8-methoxy-2-methylquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide
CasNumber
1072944-93-4
MolecularFormula
C22H22N2O4
MolecularWeight
378.4211
MdlNumber
MFCD11504952
Smiles
COc1ccccc1NC(=O)/C=C(/c1c(C)nc2c(c1O)cccc2OC)C
Complexity
669
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
3.8
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CatalogNumber: AB55337
ChemicalName: (E)-3-(4-Hydroxy-8-methoxy-2-methylquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide
CasNumber: 1072944-93-4
MolecularFormula: C22H22N2O4
MolecularWeight: 378.4211
MdlNumber: MFCD11504952
Smiles: COc1ccccc1NC(=O)/C=C(/c1c(C)nc2c(c1O)cccc2OC)C
Complexity: 669
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 3.8
CatalogNumber:
AB55337
ChemicalName:
(E)-3-(4-Hydroxy-8-methoxy-2-methylquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide
CasNumber:
1072944-93-4
MolecularFormula:
C22H22N2O4
MolecularWeight:
378.4211
MdlNumber:
MFCD11504952
Smiles:
COc1ccccc1NC(=O)/C=C(/c1c(C)nc2c(c1O)cccc2OC)C
Complexity:
669
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C/C=C/c1ccco1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C/C=C/c1ccco1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#C/C=C/S(=O)(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#C/C=C/S(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB55340
ChemicalName: trans-3-(3-Pyridyl)acrylic acid
CasNumber: 19337-97-4
MolecularFormula: C8H7NO2
MolecularWeight: 149.1467
MdlNumber: MFCD00006410
Smiles: OC(=O)/C=C/c1cccnc1
Complexity: 166
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB55340
ChemicalName:
trans-3-(3-Pyridyl)acrylic acid
CasNumber:
19337-97-4
MolecularFormula:
C8H7NO2
MolecularWeight:
149.1467
MdlNumber:
MFCD00006410
Smiles:
OC(=O)/C=C/c1cccnc1
Complexity:
166
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8