6-chloro-2,4-dimethylfuro[3,2-c]quinoline

• ChemBase ID: 184372
• Molecular Formular: C13H10ClNO
• Molecular Mass: 231.6776
• Monoisotopic Mass: 231.04509163
• SMILES: c12c(c(nc3c1cccc3Cl)C)cc(o2)C
• Canonical SMILES: Cc1cc2c(o1)c1cccc(c1nc2C)Cl
• InChI: InChI=1S/C13H10ClNO/c1-7-6-10-8(2)15-12-9(13(10)16-7)4-3-5-11(12)14/h3-6H,1-2H3
• InChIKey: ZBROQHNMWCJCRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,4-dimethylfuro[3,2-c]quinoline
• IUPAC Traditional name: 6-chloro-2,4-dimethylfuro[3,2-c]quinoline

Database IDs

• PubChem SID: 164240282
• PubChem CID: 760833

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2246916
• LogD (pH = 7.4): 3.224996
• Log P: 3.2250001
• Molar Refractivity: 63.3664 cm^3
• Polarizability: 26.775757 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds