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

• ChemBase ID: 754397
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c1(n(CC2CC2)ccn1)C1CN(C(=O)c2cc3c(nc2)cccc3)CCC1
• Canonical SMILES: O=C(c1cnc2c(c1)cccc2)N1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C22H24N4O/c27-22(19-12-17-4-1-2-6-20(17)24-13-19)26-10-3-5-18(15-26)21-23-9-11-25(21)14-16-7-8-16/h1-2,4,6,9,11-13,16,18H,3,5,7-8,10,14-15H2
• InChIKey: GDOWMNPFBDOPQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.195365
• LogD (pH = 7.4): 2.8345501
• Log P: 2.8633506
• Molar Refractivity: 104.7275 cm^3
• Polarizability: 41.232883 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: 2.08
• LOG S: -3.6
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4