[methoxy(quinolin-4-yl)methylidene]azanylium chloride

• ChemBase ID: 802444
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: C(=[N+])(c1c2c(cccc2)ncc1)OC.[Cl-]
• Canonical SMILES: COC(=[N+])c1ccnc2c1cccc2.[Cl-]
• InChI: InChI=1S/C11H9N2O.ClH/c1-14-11(12)9-6-7-13-10-5-3-2-4-8(9)10;/h2-7H,1H3;1H/q+1;/p-1
• InChIKey: CKHNPAAIEKHNCA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [methoxy(quinolin-4-yl)methylidene]azanylium chloride
• IUPAC Traditional name: [methoxy(quinolin-4-yl)methylidene]azanylium chloride
• Synonyms: METHOXY(QUINOLIN-4-YL)METHANIMINIUM CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6952258
• LogD (pH = 7.4): 1.6952258
• Log P: 1.6952258
• Molar Refractivity: 52.2735 cm^3
• Polarizability: 21.758831 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%