7,7-dimethyl-N-(4-methylquinolin-2-yl)-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 689252
• Molecular Formular: C24H29N5O
• Molecular Mass: 403.51996
• Monoisotopic Mass: 403.23721057
• SMILES: c1(nc2c(C(Nc3nc4c(c(c3)C)cccc4)CC(C2)(C)C)cn1)N1CCOCC1
• Canonical SMILES: Cc1cc(NC2CC(C)(C)Cc3c2cnc(n3)N2CCOCC2)nc2c1cccc2
• InChI: InChI=1S/C24H29N5O/c1-16-12-22(26-19-7-5-4-6-17(16)19)27-20-13-24(2,3)14-21-18(20)15-25-23(28-21)29-8-10-30-11-9-29/h4-7,12,15,20H,8-11,13-14H2,1-3H3,(H,26,27)
• InChIKey: CBZLFWBXCAZANY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-N-(4-methylquinolin-2-yl)-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 7,7-dimethyl-N-(4-methylquinolin-2-yl)-2-(morpholin-4-yl)-6,8-dihydro-5H-quinazolin-5-amine
• Synonyms: 7,7-dimethyl-N-(4-methylquinolin-2-yl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.472853
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.370442
• LogD (pH = 7.4): 4.4489803
• Log P: 4.530625
• Molar Refractivity: 121.0355 cm^3
• Polarizability: 46.36428 Å^3
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.12
• LOG S: -5.66
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 3