1-(pyridine-3-carbonyl)-1,2,3,4-tetrahydroquinolin-6-amine

• ChemBase ID: 31807
• Molecular Formular: C15H15N3O
• Molecular Mass: 253.2991
• Monoisotopic Mass: 253.12151212
• SMILES: N1(C(=O)c2cnccc2)c2c(cc(cc2)N)CCC1
• Canonical SMILES: Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1
• InChI: InChI=1S/C15H15N3O/c16-13-5-6-14-11(9-13)4-2-8-18(14)15(19)12-3-1-7-17-10-12/h1,3,5-7,9-10H,2,4,8,16H2
• InChIKey: WLVCLQWPPSUUGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridine-3-carbonyl)-1,2,3,4-tetrahydroquinolin-6-amine
• IUPAC Traditional name: 1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-amine
• Synonyms: (6-Amino-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-yl-methanone; (6-amino-3,4-dihydroquinolin-1(2H)-yl)(pyridin-3-yl)methanone; 1-(Pyridin-3-ylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-amine; 6-Amino-1-(pyridin-3-ylcarbonyl)-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD09261803
• PubChem SID: 160995114
• PubChem CID: 16395002

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3573158
• LogD (pH = 7.4): 1.3669319
• Log P: 1.3670555
• Molar Refractivity: 75.1615 cm^3
• Polarizability: 27.969954 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false