9-(3-chloro-4-methoxyphenyl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 206433
• Molecular Formular: C19H16ClNO4
• Molecular Mass: 357.78764
• Monoisotopic Mass: 357.07678568
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1cc(c(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1Cl)N1COc2c(C1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C19H16ClNO4/c1-11-7-18(22)25-19-13(11)4-6-16-14(19)9-21(10-24-16)12-3-5-17(23-2)15(20)8-12/h3-8H,9-10H2,1-2H3
• InChIKey: NJQJZPURSNYAAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3-chloro-4-methoxyphenyl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(3-chloro-4-methoxyphenyl)-4-methyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164262343
• PubChem CID: 1775534

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1425495
• LogD (pH = 7.4): 4.1425495
• Log P: 4.1425495
• Molar Refractivity: 95.4435 cm^3
• Polarizability: 36.325436 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds