1H,7H-Cyclohepta(4,5-b)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-methyl-

HCID 40748

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Basic information

CAS: 53375-23-8
Standard SMILES: CC1C=CC2=NC3=C(CCCCC3)N3CC(=O)C1=C23
InChIKey: WWBQXFSGNKUTKA-UHFFFAOYSA-N
Molecular formula: C16H18N2O
Average molar mass: 254.33 g/mol
Monoisotopic mass: 254.1419132

Names & identifiers

Preferred name: 1H,7H-Cyclohepta(4,5-b)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-methyl-
IUPAC: 13-methyl-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-15-one

Names & synonyms

BRN 089281553375-23-88,9,10,11-Tetrahydro-3-methyl-1H,7H-cyclohepta(4,5-b)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one1H,7H-Cyclohepta(4,5-b)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-methyl-RefChem:236860DTXSID109680213-Methyl-3,7,8,9,10,11-hexahydrocyclohepta[b]pyrrolo[1,2,3-de]quinoxalin-2(1H)-one

Database identifiers

CAS: 53375-23-8
PubChem CID: 40748
DTXSID: DTXSID10968021

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 592

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