N,2,6-trimethyl-N-(propan-2-yl)quinoline-3-carboxamide

• ChemBase ID: 573340
• Molecular Formular: C16H20N2O
• Molecular Mass: 256.3428
• Monoisotopic Mass: 256.15756327
• SMILES: c1(C(=O)N(C(C)C)C)c(nc2c(c1)cc(cc2)C)C
• Canonical SMILES: Cc1ccc2c(c1)cc(c(n2)C)C(=O)N(C(C)C)C
• InChI: InChI=1S/C16H20N2O/c1-10(2)18(5)16(19)14-9-13-8-11(3)6-7-15(13)17-12(14)4/h6-10H,1-5H3
• InChIKey: NXDJSKZSVWCSIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,6-trimethyl-N-(propan-2-yl)quinoline-3-carboxamide
• IUPAC Traditional name: N-isopropyl-N,2,6-trimethylquinoline-3-carboxamide
• Synonyms: N-isopropyl-N,2,6-trimethylquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8316846
• LogD (pH = 7.4): 2.8468702
• Log P: 2.8470674
• Molar Refractivity: 77.6512 cm^3
• Polarizability: 30.706472 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.73
• LOG S: -3.4
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2