N-(6-methoxypyridin-3-yl)-2-({9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}oxy)acetamide

• ChemBase ID: 228073
• Molecular Formular: C19H18N4O4
• Molecular Mass: 366.37062
• Monoisotopic Mass: 366.13280508
• SMILES: n12c(=O)c3c(nc1CCC2)ccc(c3)OCC(=O)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)COc1ccc2c(c1)c(=O)n1c(n2)CCC1
• InChI: InChI=1S/C19H18N4O4/c1-26-18-7-4-12(10-20-18)21-17(24)11-27-13-5-6-15-14(9-13)19(25)23-8-2-3-16(23)22-15/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,24)
• InChIKey: YAJXELNQALNIEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-2-({9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}oxy)acetamide
• IUPAC Traditional name: N-(6-methoxypyridin-3-yl)-2-({9-oxo-1H,2H,3H-pyrrolo[2,1-b]quinazolin-7-yl}oxy)acetamide

Database IDs

• PubChem SID: 164283983
• PubChem CID: 71755190

CALCULATED PROPERTIES

• Molar Refractivity: 100.6268 cm^3
• Polarizability: 36.608665 Å^3
• Polar Surface Area: 93.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 12.051791
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1771837
• LogD (pH = 7.4): 1.1975715
• Log P: 1.1978474

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds