4,6-dimethyl-3-(morpholin-4-ylmethyl)-2H,7H,8H,9H,10H-chromeno[7,8-c]pyridin-2-one

• ChemBase ID: 200421
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(c(c2c(oc1=O)c1c(c(c2)C)CNCC1)C)CN1CCOCC1
• Canonical SMILES: O=c1oc2c3CCNCc3c(cc2c(c1CN1CCOCC1)C)C
• InChI: InChI=1S/C19H24N2O3/c1-12-9-15-13(2)17(11-21-5-7-23-8-6-21)19(22)24-18(15)14-3-4-20-10-16(12)14/h9,20H,3-8,10-11H2,1-2H3
• InChIKey: CHUOYQUPWVPHLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-3-(morpholin-4-ylmethyl)-2H,7H,8H,9H,10H-chromeno[7,8-c]pyridin-2-one
• IUPAC Traditional name: 4,6-dimethyl-3-(morpholin-4-ylmethyl)-7H,8H,9H,10H-chromeno[7,8-c]pyridin-2-one

Database IDs

• PubChem SID: 164256331
• PubChem CID: 908496

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.051628
• LogD (pH = 7.4): 0.051285543
• Log P: 1.7994384
• Molar Refractivity: 94.3625 cm^3
• Polarizability: 36.24002 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds