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

• ChemBase ID: 415705
• Molecular Formular: C30H35N3O4
• Molecular Mass: 501.6166
• Monoisotopic Mass: 501.26275662
• SMILES: c1(c(CN(C(=O)c2cc(OC)ccc2)CC2OCCC2)cc2c(n1)cc1c(c2)CCC1)N1CCOCC1
• Canonical SMILES: COc1cccc(c1)C(=O)N(Cc1cc2cc3CCCc3cc2nc1N1CCOCC1)CC1CCCO1
• InChI: InChI=1S/C30H35N3O4/c1-35-26-8-3-7-23(17-26)30(34)33(20-27-9-4-12-37-27)19-25-16-24-15-21-5-2-6-22(21)18-28(24)31-29(25)32-10-13-36-14-11-32/h3,7-8,15-18,27H,2,4-6,9-14,19-20H2,1H3
• InChIKey: XROLGALQKWCNIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.384763
• LogD (pH = 7.4): 4.8930435
• Log P: 4.90597
• Molar Refractivity: 144.8794 cm^3
• Polarizability: 55.99469 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.41
• LOG S: -5.76
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 6