Basic information
- CAS
3135-54-4- Standard SMILES
O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccccc1)c1ccccn21- InChIKey
UQCAZSLFSDIWBA-UHFFFAOYSA-N- Molecular formula
- C23H14N2O3
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.10044231
Names & identifiers
- Preferred name
- 6,11-Dihydro-6,11-dioxo-N-phenylbenzo[f]pyrido[1,2-a]indole-12-carboxamide
- IUPAC
- 6,11-dioxo-N-phenylnaphtho[2,3-b]indolizine-12-carboxamide
- English name
- 6,11-dihydro-6,11-dioxo-N-phenylbenzo[f]pyrido[1,2-a]indole-12-carboxamide
- Molecular formula
- C23H14N2O3
- Molecular weight
- 366.37
Names & synonyms
EINECS 221-533-73135-54-46,11-Dihydro-6,11-dioxo-N-phenylbenzo(f)pyrido(1,2-a)indole-12-carboxamide6,11-Dihydro-6,11-dioxo-N-phenylbenzo[f]pyrido[1,2-a]indole-12-carboxamideDTXSID50185275RefChem:103699DTXCID60107766221-533-7LH7BYX7NW56,11-dioxo-n-phenyl-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxamideOprea1_080903Oprea1_732829
Show more names
UQCAZSLFSDIWBA-UHFFFAOYSA-NNSC800012NSC-8000121-Phenylcarbamoyl-2,3-phthaloylpyrrocolineNS00029066Benzo[f]pyrido[1,2-a]indole-12-carboxamide, 6,11-dihydro-6,11-dioxo-N-phenyl-
Database identifiers
- CAS
3135-54-4- PubChem CID
- 76587
- DTXSID
DTXSID50185275- UNII
- LH7BYX7NW5
- EC Number
- 221-533-7
- Nikkaji
- J217.291G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Melting point
- 256 · 256-257 °C
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.69 · 12.69±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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