4-[3-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-phenylquinazoline

• ChemBase ID: 652949
• Molecular Formular: C23H23N5
• Molecular Mass: 369.46222
• Monoisotopic Mass: 369.19534576
• SMILES: c1(nc(nc2c1cccc2)c1ccccc1)N1CC(c2n(ccn2)C)CCC1
• Canonical SMILES: Cn1ccnc1C1CCCN(C1)c1nc(nc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C23H23N5/c1-27-15-13-24-22(27)18-10-7-14-28(16-18)23-19-11-5-6-12-20(19)25-21(26-23)17-8-3-2-4-9-17/h2-6,8-9,11-13,15,18H,7,10,14,16H2,1H3
• InChIKey: QLBGFLWZBKOPNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-phenylquinazoline
• IUPAC Traditional name: 4-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylquinazoline
• Synonyms: 4-[3-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]-2-phenylquinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1557117
• LogD (pH = 7.4): 5.144288
• Log P: 5.2664733
• Molar Refractivity: 122.8881 cm^3
• Polarizability: 44.100033 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.05
• LOG S: -4.5
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3