5-chloro-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

• ChemBase ID: 614565
• Molecular Formular: C20H23ClN4O
• Molecular Mass: 370.87582
• Monoisotopic Mass: 370.15603906
• SMILES: N1C(C(=O)NCCc2nc3c(c(n2)C)CCCC3)Cc2c1ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)CC(N2)C(=O)NCCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C20H23ClN4O/c1-12-15-4-2-3-5-17(15)25-19(23-12)8-9-22-20(26)18-11-13-10-14(21)6-7-16(13)24-18/h6-7,10,18,24H,2-5,8-9,11H2,1H3,(H,22,26)
• InChIKey: LSVLLJWEPQOVJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
• IUPAC Traditional name: 5-chloro-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
• Synonyms: 5-chloro-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]indoline-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.5317335
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.2246542
• LogD (pH = 7.4): 3.225013
• Log P: 3.2250175
• Molar Refractivity: 104.0519 cm^3
• Polarizability: 39.065372 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.8
• LOG S: -4.29
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 4