7-(dimethylamino)quinoline-3-carbaldehyde

• ChemBase ID: 803114
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(cc2c(cc1)cc(cn2)C=O)N(C)C
• Canonical SMILES: O=Cc1cnc2c(c1)ccc(c2)N(C)C
• InChI: InChI=1S/C12H12N2O/c1-14(2)11-4-3-10-5-9(8-15)7-13-12(10)6-11/h3-8H,1-2H3
• InChIKey: ZGXRBOAJQJTINR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(dimethylamino)quinoline-3-carbaldehyde
• IUPAC Traditional name: 7-(dimethylamino)quinoline-3-carbaldehyde
• Synonyms: 7-(DIMETHYLAMINO)QUINOLINE-3-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7931995
• LogD (pH = 7.4): 1.9490023
• Log P: 1.9514467
• Molar Refractivity: 60.9919 cm^3
• Polarizability: 23.68698 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%