4-oxo-7-(1H-pyrrol-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Basic information
- CAS
89353-45-7- Standard SMILES
O=C(O)c1c[nH]c2cc(-n3cccc3)ccc2c1=O- InChIKey
VQKCPEQFNFGHQE-UHFFFAOYSA-N- Molecular formula
- C14H10N2O3
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.06914219
Names & identifiers
- Preferred name
- 4-oxo-7-(1H-pyrrol-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 4-oxo-7-pyrrol-1-yl-1H-quinoline-3-carboxylic acid
Names & synonyms
NSC61049489353-45-7DTXSID703267044-oxo-7-(1H-pyrrol-1-yl)-1,4-dihydroquinoline-3-carboxylic acidNSC-610494
Database identifiers
- CAS
89353-45-7- PubChem CID
- 355865
- DTXSID
DTXSID70326704
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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