N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide

• ChemBase ID: 848856
• Molecular Formular: C26H30N4O2
• Molecular Mass: 430.542
• Monoisotopic Mass: 430.23687622
• SMILES: c1(=O)n(cnc2c1cccc2)CCC(=O)N(C1CN(C2Cc3c(C2)cccc3)CCC1)C
• Canonical SMILES: O=C(N(C1CCCN(C1)C1Cc2c(C1)cccc2)C)CCn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C26H30N4O2/c1-28(25(31)12-14-30-18-27-24-11-5-4-10-23(24)26(30)32)21-9-6-13-29(17-21)22-15-19-7-2-3-8-20(19)16-22/h2-5,7-8,10-11,18,21-22H,6,9,12-17H2,1H3
• InChIKey: CPKDOGBEIFVGSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-N-methyl-3-(4-oxo-3(4H)-quinazolinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.27384874
• LogD (pH = 7.4): 1.3468058
• Log P: 2.9008224
• Molar Refractivity: 127.7734 cm^3
• Polarizability: 47.794132 Å^3
• Polar Surface Area: 56.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.37
• LOG S: -3.56
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5