1-(4-methylquinazolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

• ChemBase ID: 516827
• Molecular Formular: C24H26N4O
• Molecular Mass: 386.48944
• Monoisotopic Mass: 386.21066147
• SMILES: c1(N2C(C(=O)NC3c4c(CCC3)cccc4)CCC2)nc(c2c(n1)cccc2)C
• Canonical SMILES: O=C(C1CCCN1c1nc(C)c2c(n1)cccc2)NC1CCCc2c1cccc2
• InChI: InChI=1S/C24H26N4O/c1-16-18-10-4-5-12-20(18)27-24(25-16)28-15-7-14-22(28)23(29)26-21-13-6-9-17-8-2-3-11-19(17)21/h2-5,8,10-12,21-22H,6-7,9,13-15H2,1H3,(H,26,29)
• InChIKey: AZBONGIDCIQEKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylquinazolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-(4-methylquinazolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
• Synonyms: 1-(4-methyl-2-quinazolinyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.970825
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.537446
• LogD (pH = 7.4): 4.568587
• Log P: 4.5689993
• Molar Refractivity: 114.6508 cm^3
• Polarizability: 44.813114 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.79
• LOG S: -6.37
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3