N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)furan-2-carboxamide

• ChemBase ID: 337692
• Molecular Formular: C25H29N3O5
• Molecular Mass: 451.51486
• Monoisotopic Mass: 451.21072104
• SMILES: c1(c(CN(C(=O)c2occc2)CC2OCCC2)cc2c(n1)cc(cc2)OC)N1CCOCC1
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CN(C(=O)c1ccco1)CC1CCCO1)N1CCOCC1
• InChI: InChI=1S/C25H29N3O5/c1-30-20-7-6-18-14-19(24(26-22(18)15-20)27-8-12-31-13-9-27)16-28(17-21-4-2-10-32-21)25(29)23-5-3-11-33-23/h3,5-7,11,14-15,21H,2,4,8-10,12-13,16-17H2,1H3
• InChIKey: FMPOXKBZDJSBPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)furan-2-carboxamide
• Synonyms: N-{[7-methoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4794743
• LogD (pH = 7.4): 2.9473433
• Log P: 2.9585314
• Molar Refractivity: 124.3891 cm^3
• Polarizability: 48.235313 Å^3
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.64
• LOG S: -3.41
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 6