2-methyl-1H-pyrrolo[2,3-f]quinoline

• ChemBase ID: 202888
• Molecular Formular: C12H10N2
• Molecular Mass: 182.2212
• Monoisotopic Mass: 182.08439833
• SMILES: c12[nH]c(cc1ccc1c2cccn1)C
• Canonical SMILES: Cc1[nH]c2c(c1)ccc1c2cccn1
• InChI: InChI=1S/C12H10N2/c1-8-7-9-4-5-11-10(12(9)14-8)3-2-6-13-11/h2-7,14H,1H3
• InChIKey: DSDWWQYASMFDDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-pyrrolo[2,3-f]quinoline
• IUPAC Traditional name: 2-methyl-1H-pyrrolo[2,3-f]quinoline

Database IDs

• PubChem SID: 164258798
• PubChem CID: 3761287

CALCULATED PROPERTIES

• LogD (pH = 5.5): 2.4280536
• LogD (pH = 7.4): 2.429209
• Log P: 2.4292238
• Molar Refractivity: 56.2155 cm^3
• Polarizability: 24.109167 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 16.057362
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds