16,18-Dimethyl-3-oxa-13,16,18-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-17-one

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Basic information

CAS: 847049-30-3
Standard SMILES: CN1CC2CC3c4oc5ccccc5c4CCN3CC2N(C)C1=O
InChIKey: GCSYULAXHJIIDX-UHFFFAOYSA-N
Molecular formula: C19H23N3O2
Average molar mass: 325.4 g/mol
Monoisotopic mass: 325.17902698

Names & identifiers

Preferred name: 16,18-Dimethyl-3-oxa-13,16,18-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-17-one
IUPAC: 16,18-dimethyl-3-oxa-13,16,18-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-17-one

Names & synonyms

847049-30-3DTXSID6010050052,4-Dimethyl-1,4a,5,7,8,13b,14,14a-octahydro-2H-[1]benzofuro[2,3-a]pyrimido[4,5-g]quinolizin-3(4H)-one2H-benzofuro[2,3-a]pyrimido[4,5-g]quinolizin-3(4H)-one, 1,4a,5,7,8,13b,14,14a-octahydro-2,4-dimethyl-

Database identifiers

CAS: 847049-30-3
PubChem CID: 644287
DTXSID: DTXSID601005005

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 39.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 24
Formal charge: 0
Complexity: 527

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Compound notes

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