N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

• ChemBase ID: 520863
• Molecular Formular: C29H39N3O3
• Molecular Mass: 477.63826
• Monoisotopic Mass: 477.29914212
• SMILES: c1(c(CN(C(=O)C2CCCCC2)CC2OCCC2)cc2c(n1)cc1c(c2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N(Cc1cc2cc3CCCc3cc2nc1N1CCOCC1)CC1CCCO1)C1CCCCC1
• InChI: InChI=1S/C29H39N3O3/c33-29(21-6-2-1-3-7-21)32(20-26-10-5-13-35-26)19-25-17-24-16-22-8-4-9-23(22)18-27(24)30-28(25)31-11-14-34-15-12-31/h16-18,21,26H,1-15,19-20H2
• InChIKey: RKOXXRGOMUVGLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
• IUPAC Traditional name: N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
• Synonyms: N-{[2-(4-morpholinyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-N-(tetrahydro-2-furanylmethyl)cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.801709
• LogD (pH = 7.4): 5.31004
• Log P: 5.3229694
• Molar Refractivity: 138.9479 cm^3
• Polarizability: 54.425888 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.57
• LOG S: -5.6
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 6