7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-I(2),4-dioxo-3-quinolinepropanoic acid
Basic information
- CAS
1000544-66-0- Standard SMILES
O=C(O)CC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O- InChIKey
OOPBTBMBIPXNGD-UHFFFAOYSA-N- Molecular formula
- C15H11ClFNO4
- Average molar mass
- 323.7 g/mol
- Monoisotopic mass
- 323.0360637
Names & identifiers
- Preferred name
- 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-I(2),4-dioxo-3-quinolinepropanoic acid
- IUPAC
- 3-(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl)-3-oxopropanoic acid
Names & synonyms
DTXSID6011357693-(7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl)-3-oxopropanoic acid7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-I(2),4-dioxo-3-quinolinepropanoic acid1000544-66-0
Database identifiers
- CAS
1000544-66-0- PubChem CID
- 165342575
- DTXSID
DTXSID601135769
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 560
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