2-chloro-6H,7H,8H-cyclopenta[g]quinoline-3-carbaldehyde

• ChemBase ID: 309810
• Molecular Formular: C13H10ClNO
• Molecular Mass: 231.6776
• Monoisotopic Mass: 231.04509163
• SMILES: n1c(c(cc2c1cc1c(c2)CCC1)C=O)Cl
• Canonical SMILES: O=Cc1cc2cc3CCCc3cc2nc1Cl
• InChI: InChI=1S/C13H10ClNO/c14-13-11(7-16)5-10-4-8-2-1-3-9(8)6-12(10)15-13/h4-7H,1-3H2
• InChIKey: PIJIPWHCETYLSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6H,7H,8H-cyclopenta[g]quinoline-3-carbaldehyde
• IUPAC Traditional name: 2-chloro-6H,7H,8H-cyclopenta[g]quinoline-3-carbaldehyde
• Synonyms: 2-chloro-7,8-dihydro-6H-cyclopenta[g]quinoline-3-carbaldehyde

Database IDs

• MDL Number: MFCD02734125

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6753087
• LogD (pH = 7.4): 3.6753101
• Log P: 3.6753101
• Molar Refractivity: 65.3106 cm^3
• Polarizability: 25.415588 Å^3
• Polar Surface Area: 29.96 Å^2