11-(4-Chlorobenzoyl)-14-(2-methyl-4-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

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Basic information

CAS: 1212381-18-4
Standard SMILES: Cc1cc([N+](=O)[O-])ccc1N1C(=O)C2C(C1=O)C1c3ccccc3C=CN1C2C(=O)c1ccc(Cl)cc1
InChIKey: KJJSEYOOWMMQIN-UHFFFAOYSA-N
Molecular formula: C28H20ClN3O5
Average molar mass: 513.9 g/mol
Monoisotopic mass: 513.1091484

Names & identifiers

Preferred name: 11-(4-Chlorobenzoyl)-14-(2-methyl-4-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
IUPAC: 11-(4-chlorobenzoyl)-14-(2-methyl-4-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Names & synonyms

DTXSID6011025741212381-18-48-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3a(2),4a(2):3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Database identifiers

CAS: 1212381-18-4
PubChem CID: 3792243
DTXSID: DTXSID601102574

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 104 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 37
Formal charge: 0
Complexity: 1,000

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Compound notes

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