N-{4-[8-(2-hydroxyethyl)-1,9-dioxo-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridin-2-yl]phenyl}acetamide

• ChemBase ID: 223570
• Molecular Formular: C21H18N4O4
• Molecular Mass: 390.39202
• Monoisotopic Mass: 390.13280508
• SMILES: c1(=O)c2c(nc3c(c(=O)n(cc3)CCO)c2)ccn1c1ccc(NC(=O)C)cc1
• Canonical SMILES: OCCn1ccc2c(c1=O)cc1c(n2)ccn(c1=O)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C21H18N4O4/c1-13(27)22-14-2-4-15(5-3-14)25-9-7-19-17(21(25)29)12-16-18(23-19)6-8-24(10-11-26)20(16)28/h2-9,12,26H,10-11H2,1H3,(H,22,27)
• InChIKey: XFWOTYSJYDAFGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[8-(2-hydroxyethyl)-1,9-dioxo-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridin-2-yl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[8-(2-hydroxyethyl)-1,9-dioxopyrido[4,3-b]1,6-naphthyridin-2-yl]phenyl}acetamide

Database IDs

• PubChem SID: 164279480
• PubChem CID: 43865189

CALCULATED PROPERTIES

• Log P: 0.5777824
• Molar Refractivity: 108.4888 cm^3
• Polarizability: 39.664455 Å^3
• Polar Surface Area: 102.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.351785
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.5777186
• LogD (pH = 7.4): 0.5777815

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds