15-(morpholin-4-yl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one

• ChemBase ID: 219559
• Molecular Formular: C20H16N2O2
• Molecular Mass: 316.35324
• Monoisotopic Mass: 316.12117776
• SMILES: c12c3c(C(=O)c4c1cccc4)cccc3nc(c2)N1CCOCC1
• Canonical SMILES: O=C1c2ccccc2c2c3c1cccc3nc(c2)N1CCOCC1
• InChI: InChI=1S/C20H16N2O2/c23-20-14-5-2-1-4-13(14)16-12-18(22-8-10-24-11-9-22)21-17-7-3-6-15(20)19(16)17/h1-7,12H,8-11H2
• InChIKey: BUWARJBQHWMPTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 15-(morpholin-4-yl)-14-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one
• IUPAC Traditional name: 15-(morpholin-4-yl)-14-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one

Database IDs

• PubChem SID: 164275469
• PubChem CID: 12517747

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7364924
• LogD (pH = 7.4): 3.748084
• Log P: 3.748234
• Molar Refractivity: 93.4496 cm^3
• Polarizability: 37.763924 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds