Basic information
- CAS
5100-81-2- Standard SMILES
O=c1oc2ccccc2c2nc3ccccc3cc12- InChIKey
BYLOQNYQAMIHJQ-UHFFFAOYSA-N- Molecular formula
- C16H9NO2
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.06332853
Names & identifiers
- Preferred name
- 6H-[1]Benzopyrano[4,3-b]quinolin-6-one
- IUPAC
- chromeno[4,3-b]quinolin-6-one
Names & synonyms
6H-[1]Benzopyrano[4,3-b]quinolin-6-onechromeno[4,3-b]quinolin-6-one5100-81-2NSC6805816H-chromeno[4,3-b]quinolin-6-oneCHEMBL1929370SCHEMBL28394193DTXSID20327726NSC-680581NCI60_028739AO-362/14638077
Database identifiers
- CAS
5100-81-2- PubChem CID
- 387142
- DTXSID
DTXSID20327726- ChEMBL
CHEMBL1929370- Nikkaji
- J1.323.076E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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