N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide

• ChemBase ID: 648467
• Molecular Formular: C32H32N2O4
• Molecular Mass: 508.60748
• Monoisotopic Mass: 508.23620751
• SMILES: N(C(=O)c1nc2c(cc1)cccc2)(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)c1ccc2c(n1)cccc2)CC1CCCO1
• InChI: InChI=1S/C32H32N2O4/c1-36-31-17-22(12-15-30(31)38-27-18-24-8-2-3-9-25(24)19-27)20-34(21-26-10-6-16-37-26)32(35)29-14-13-23-7-4-5-11-28(23)33-29/h2-5,7-9,11-15,17,26-27H,6,10,16,18-21H2,1H3
• InChIKey: VCULEYRGNATLCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-N-(tetrahydro-2-furanylmethyl)-2-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.7552485
• LogD (pH = 7.4): 5.755253
• Log P: 5.755253
• Molar Refractivity: 146.6202 cm^3
• Polarizability: 57.829365 Å^3
• Polar Surface Area: 60.89 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: 5.44
• LOG S: -6.95
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 7