2-methyl-3-(prop-2-en-1-yl)quinolin-4-amine

• ChemBase ID: 182704
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: c1(c(c(nc2c1cccc2)C)CC=C)N
• Canonical SMILES: C=CCc1c(C)nc2c(c1N)cccc2
• InChI: InChI=1S/C13H14N2/c1-3-6-10-9(2)15-12-8-5-4-7-11(12)13(10)14/h3-5,7-8H,1,6H2,2H3,(H2,14,15)
• InChIKey: ZRAGHXHGPPWNSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(prop-2-en-1-yl)quinolin-4-amine
• IUPAC Traditional name: 2-methyl-3-(prop-2-en-1-yl)quinolin-4-amine

Database IDs

• PubChem SID: 164238614
• PubChem CID: 928081

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7404961
• LogD (pH = 7.4): 1.3131576
• Log P: 2.5319154
• Molar Refractivity: 63.5585 cm^3
• Polarizability: 25.231844 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds