9-(5-chloro-2-methylphenyl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 204305
• Molecular Formular: C19H16ClNO3
• Molecular Mass: 341.78824
• Monoisotopic Mass: 341.08187106
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1cc(ccc1C)Cl
• Canonical SMILES: Clc1ccc(c(c1)N1COc2c(C1)c1oc(=O)cc(c1cc2)C)C
• InChI: InChI=1S/C19H16ClNO3/c1-11-3-4-13(20)8-16(11)21-9-15-17(23-10-21)6-5-14-12(2)7-18(22)24-19(14)15/h3-8H,9-10H2,1-2H3
• InChIKey: YUKURUZRXMIKAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(5-chloro-2-methylphenyl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(5-chloro-2-methylphenyl)-4-methyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164260215
• PubChem CID: 1768357

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.813642
• LogD (pH = 7.4): 4.813642
• Log P: 4.813642
• Molar Refractivity: 94.0215 cm^3
• Polarizability: 35.529488 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds