Basic information
- CAS
5100-91-4- Standard SMILES
O=c1oc2c3ccc4cnccc4c3[nH]c2c2ccccc12- InChIKey
VDZSVNWJENESME-UHFFFAOYSA-N- Molecular formula
- C18H10N2O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.07422757
Names & identifiers
- Preferred name
- (2)Benzopyrano(3',4':4,5)pyrrolo(2,3-f)quinolin-8-one, 8,13-dihydro-
- IUPAC
- 3-oxa-12,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5,7,9,14(19),15,17,20-nonaen-4-one
- English name
- [2]Benzopyrano[3',4':4,5]pyrrolo[2,3-f]isoquinolin-8(13H)-one
- Molecular formula
- C18H10N2O2
- Molecular weight
- 286.28
Names & synonyms
5100-91-4(2)Benzopyrano(3',4':4,5)pyrrolo(2,3-f)quinolin-8-one, 8,13-dihydro-Isochromeno[3',4':4,5]pyrrolo[2,3-f]isoquinolin-8(13H)-oneBRN 05488758-Oxo-8H-isochromeno(4',3':4,5)pyrrolo(2,3-f)quinoline[2]Benzopyrano[3',4':4,5]pyrrolo[2,3-f]isoquinolin-8(13H)-oneDTXSID00199009NSC742939NSC-742939
Database identifiers
- CAS
5100-91-4- PubChem CID
- 199848
- DTXSID
DTXSID00199009- Nikkaji
- J36.046E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Boiling point
- 428.66 °C · 428.66°C (rough estimate)
- Density
- 1.265 · 1.2650 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- pka
- 13.83 · 13.83±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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