N,N-bis(2-hydroxyethyl)-2-methyl-4-oxo-1,4-dihydroquinoline-8-carboxamide

• ChemBase ID: 373828
• Molecular Formular: C15H18N2O4
• Molecular Mass: 290.31442
• Monoisotopic Mass: 290.12665707
• SMILES: c12c(C(=O)N(CCO)CCO)cccc1c(=O)cc([nH]2)C
• Canonical SMILES: OCCN(C(=O)c1cccc2c1[nH]c(C)cc2=O)CCO
• InChI: InChI=1S/C15H18N2O4/c1-10-9-13(20)11-3-2-4-12(14(11)16-10)15(21)17(5-7-18)6-8-19/h2-4,9,18-19H,5-8H2,1H3,(H,16,20)
• InChIKey: PCIVUYFWZGSZGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(2-hydroxyethyl)-2-methyl-4-oxo-1,4-dihydroquinoline-8-carboxamide
• IUPAC Traditional name: N,N-bis(2-hydroxyethyl)-2-methyl-4-oxo-1H-quinoline-8-carboxamide
• Synonyms: N,N-bis(2-hydroxyethyl)-2-methyl-4-oxo-1,4-dihydroquinoline-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.709212
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.06978842
• LogD (pH = 7.4): 0.06958865
• Log P: 0.06979106
• Molar Refractivity: 82.2942 cm^3
• Polarizability: 29.395102 Å^3
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.44
• LOG S: -2.55
• Polar Surface Area: 93.63 Å^2
• Rotatable Bonds: 5