N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)furan-3-carboxamide

• ChemBase ID: 669359
• Molecular Formular: C27H25ClN2O3
• Molecular Mass: 460.952
• Monoisotopic Mass: 460.15537035
• SMILES: n1c(c(CN(C(=O)c2cocc2)CCOC)cc2c1cc1c(c2)CCC1)c1ccc(cc1)Cl
• Canonical SMILES: COCCN(C(=O)c1cocc1)Cc1cc2cc3CCCc3cc2nc1c1ccc(cc1)Cl
• InChI: InChI=1S/C27H25ClN2O3/c1-32-12-10-30(27(31)21-9-11-33-17-21)16-23-14-22-13-19-3-2-4-20(19)15-25(22)29-26(23)18-5-7-24(28)8-6-18/h5-9,11,13-15,17H,2-4,10,12,16H2,1H3
• InChIKey: YLBYOBOXORRCOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)furan-3-carboxamide
• IUPAC Traditional name: N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)furan-3-carboxamide
• Synonyms: N-{[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.8789606
• LogD (pH = 7.4): 5.8912826
• Log P: 5.891442
• Molar Refractivity: 129.4708 cm^3
• Polarizability: 51.748566 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.56
• LOG S: -5.59
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6