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

• ChemBase ID: 819402
• Molecular Formular: C27H29ClN2O3
• Molecular Mass: 464.98376
• Monoisotopic Mass: 464.18667048
• SMILES: n1c(c(CN(C(=O)C2OCCC2)CCOC)cc2c1cc1c(c2)CCC1)c1ccc(cc1)Cl
• Canonical SMILES: COCCN(C(=O)C1CCCO1)Cc1cc2cc3CCCc3cc2nc1c1ccc(cc1)Cl
• InChI: InChI=1S/C27H29ClN2O3/c1-32-13-11-30(27(31)25-6-3-12-33-25)17-22-15-21-14-19-4-2-5-20(19)16-24(21)29-26(22)18-7-9-23(28)10-8-18/h7-10,14-16,25H,2-6,11-13,17H2,1H3
• InChIKey: SIBWEAMJXCSQOJ-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)oxolane-2-carboxamide
• IUPAC Traditional name: N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)oxolane-2-carboxamide
• Synonyms: N-{[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.886799
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3281717
• LogD (pH = 7.4): 5.3404946
• Log P: 5.3406544
• Molar Refractivity: 130.0266 cm^3
• Polarizability: 52.838577 Å^3
• Polar Surface Area: 51.66 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: 5.48
• LOG S: -5.03
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6