N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 489038
• Molecular Formular: C28H28ClN3O2S
• Molecular Mass: 506.05882
• Monoisotopic Mass: 505.15907583
• SMILES: n1c(c(CN(C(=O)Cc2nc(sc2)C)CCOC)cc2c1cc1c(c2)CCC1)c1ccc(cc1)Cl
• Canonical SMILES: COCCN(C(=O)Cc1csc(n1)C)Cc1cc2cc3CCCc3cc2nc1c1ccc(cc1)Cl
• InChI: InChI=1S/C28H28ClN3O2S/c1-18-30-25(17-35-18)15-27(33)32(10-11-34-2)16-23-13-22-12-20-4-3-5-21(20)14-26(22)31-28(23)19-6-8-24(29)9-7-19/h6-9,12-14,17H,3-5,10-11,15-16H2,1-2H3
• InChIKey: ZKNORCARCHMERP-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)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-{[2-(4-chlorophenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-{[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-N-(2-methoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.8852296
• LogD (pH = 7.4): 5.898893
• Log P: 5.89907
• Molar Refractivity: 140.2859 cm^3
• Polarizability: 56.46665 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.17
• LOG S: -6.48
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7