1-(7-methoxy-4-methylquinazolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

• ChemBase ID: 368518
• Molecular Formular: C26H30N4O2
• Molecular Mass: 430.542
• Monoisotopic Mass: 430.23687622
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N1CCC(C(=O)NC2c3c(CCC2)cccc3)CC1
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)N1CCC(CC1)C(=O)NC1CCCc2c1cccc2
• InChI: InChI=1S/C26H30N4O2/c1-17-21-11-10-20(32-2)16-24(21)29-26(27-17)30-14-12-19(13-15-30)25(31)28-23-9-5-7-18-6-3-4-8-22(18)23/h3-4,6,8,10-11,16,19,23H,5,7,9,12-15H2,1-2H3,(H,28,31)
• InChIKey: XAUOLTDBLLDPSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(7-methoxy-4-methylquinazolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
• Synonyms: 1-(7-methoxy-4-methyl-2-quinazolinyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.247794
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.205421
• LogD (pH = 7.4): 4.385823
• Log P: 4.3887014
• Molar Refractivity: 126.125 cm^3
• Polarizability: 49.154892 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.66
• LOG S: -6.63
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3