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

• ChemBase ID: 205310
• Molecular Formular: C20H19NO4
• Molecular Mass: 337.36916
• Monoisotopic Mass: 337.13140809
• SMILES: c12c3c(c(cc(=O)o3)CC)ccc2OCN(C1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)N1COc2c(C1)c1oc(=O)cc(c1cc2)CC
• InChI: InChI=1S/C20H19NO4/c1-3-13-9-19(22)25-20-16(13)7-8-18-17(20)11-21(12-24-18)14-5-4-6-15(10-14)23-2/h4-10H,3,11-12H2,1-2H3
• InChIKey: AAOWPEPUEBJWBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261220
• PubChem CID: 1772661

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9830732
• LogD (pH = 7.4): 3.9830732
• Log P: 3.9830732
• Molar Refractivity: 95.2397 cm^3
• Polarizability: 36.25629 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds