8-chloro-2-({4-cyclopropyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}methyl)quinoline

• ChemBase ID: 441897
• Molecular Formular: C19H19ClN4
• Molecular Mass: 338.83396
• Monoisotopic Mass: 338.12982431
• SMILES: c12C(N(Cc3nc4c(Cl)cccc4cc3)CCc1[nH]cn2)C1CC1
• Canonical SMILES: Clc1cccc2c1nc(cc2)CN1CCc2c(C1C1CC1)nc[nH]2
• InChI: InChI=1S/C19H19ClN4/c20-15-3-1-2-12-6-7-14(23-17(12)15)10-24-9-8-16-18(22-11-21-16)19(24)13-4-5-13/h1-3,6-7,11,13,19H,4-5,8-10H2,(H,21,22)
• InChIKey: HRMROKIBQQHMDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-({4-cyclopropyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}methyl)quinoline
• IUPAC Traditional name: 8-chloro-2-({4-cyclopropyl-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}methyl)quinoline
• Synonyms: 8-chloro-2-[(4-cyclopropyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)methyl]quinoline

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.996875
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0952232
• LogD (pH = 7.4): 3.0866344
• Log P: 3.1690104
• Molar Refractivity: 94.8346 cm^3
• Polarizability: 38.12261 Å^3
• Polar Surface Area: 44.81 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: 2.09
• LOG S: -3.46
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 3