6-amino-2-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

• ChemBase ID: 285625
• Molecular Formular: C13H15N3O
• Molecular Mass: 229.2777
• Monoisotopic Mass: 229.12151212
• SMILES: n12c(nc3c(c1=O)cc(cc3)C)C(N)CCC2
• Canonical SMILES: Cc1ccc2c(c1)c(=O)n1c(n2)C(N)CCC1
• InChI: InChI=1S/C13H15N3O/c1-8-4-5-11-9(7-8)13(17)16-6-2-3-10(14)12(16)15-11/h4-5,7,10H,2-3,6,14H2,1H3
• InChIKey: SVPKLQRQMMUYGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one
• IUPAC Traditional name: 6-amino-2-methyl-6H,7H,8H,9H-pyrido[2,1-b]quinazolin-11-one
• Synonyms: 6-amino-2-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

Database IDs

• MDL Number: MFCD21602591
• PubChem SID: 180671156
• PubChem CID: 73994737

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2555268
• LogD (pH = 7.4): 0.43368712
• Log P: 1.2041619
• Molar Refractivity: 67.9738 cm^3
• Polarizability: 24.905958 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.572

Product Information

• Purity: 95%