6-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}quinoline

• ChemBase ID: 773920
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c1(n(CC2CC2)ccn1)C1CN(C(=O)c2cc3c(nccc3)cc2)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)cccn2)N1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C22H24N4O/c27-22(18-7-8-20-17(13-18)3-1-9-23-20)26-11-2-4-19(15-26)21-24-10-12-25(21)14-16-5-6-16/h1,3,7-10,12-13,16,19H,2,4-6,11,14-15H2
• InChIKey: OQDKUWRVWCTQIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}quinoline
• IUPAC Traditional name: 6-{3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl}quinoline
• Synonyms: 6-({3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1834433
• LogD (pH = 7.4): 2.8343973
• Log P: 2.8633506
• Molar Refractivity: 104.7275 cm^3
• Polarizability: 41.22973 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.44
• LOG S: -3.06
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4