N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

• ChemBase ID: 497602
• Molecular Formular: C28H33N5O3S
• Molecular Mass: 519.65832
• Monoisotopic Mass: 519.23041094
• SMILES: c1(c(CN(C(=O)c2scnc2)CCCN2C(=O)CCC2)cc2c(n1)cc1c(c2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N(Cc1cc2cc3CCCc3cc2nc1N1CCOCC1)CCCN1CCCC1=O)c1scnc1
• InChI: InChI=1S/C28H33N5O3S/c34-26-6-2-7-31(26)8-3-9-33(28(35)25-17-29-19-37-25)18-23-15-22-14-20-4-1-5-21(20)16-24(22)30-27(23)32-10-12-36-13-11-32/h14-17,19H,1-13,18H2
• InChIKey: WMEIODOZYFDEOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
• Synonyms: N-{[2-(4-morpholinyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4475684
• LogD (pH = 7.4): 2.955859
• Log P: 2.9687862
• Molar Refractivity: 145.205 cm^3
• Polarizability: 55.4796 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.38
• LOG S: -4.16
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 8