1-(pyridine-3-carbonyl)-1,2,3,4-tetrahydroquinolin-7-amine

• ChemBase ID: 122987
• Molecular Formular: C15H15N3O
• Molecular Mass: 253.2991
• Monoisotopic Mass: 253.12151212
• SMILES: N1(C(=O)c2cnccc2)c2cc(N)ccc2CCC1
• Canonical SMILES: Nc1ccc2c(c1)N(CCC2)C(=O)c1cccnc1
• InChI: InChI=1S/C15H15N3O/c16-13-6-5-11-4-2-8-18(14(11)9-13)15(19)12-3-1-7-17-10-12/h1,3,5-7,9-10H,2,4,8,16H2
• InChIKey: GTZGPXDKRLHNLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridine-3-carbonyl)-1,2,3,4-tetrahydroquinolin-7-amine
• IUPAC Traditional name: 1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-7-amine
• Synonyms: (7-amino-3,4-dihydroquinolin-1(2H)-yl)(pyridin-3-yl)methanone

Database IDs

• PubChem SID: 162217340
• PubChem CID: 16642543

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3564321
• LogD (pH = 7.4): 1.3669206
• Log P: 1.3670555
• Molar Refractivity: 75.1615 cm^3
• Polarizability: 27.971098 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true