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

• ChemBase ID: 184065
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n12c(=O)c3c(nc1CCCC2)cccc3
• Canonical SMILES: O=c1c2ccccc2nc2n1CCCC2
• InChI: InChI=1S/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-2,5-6H,3-4,7-8H2
• InChIKey: LMDWOGWJYVSXEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239975
• PubChem CID: 523975

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6624644
• LogD (pH = 7.4): 1.6686093
• Log P: 1.6686882
• Molar Refractivity: 59.7829 cm^3
• Polarizability: 21.614952 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds