CID 45434616
Basic information
- CAS
1054111-08-8- Standard SMILES
CCC(C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)c1ccccc1- InChIKey
DLTOGPMRVYLSKC-UHFFFAOYSA-N- Molecular formula
- C27H28FN3O4
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.20638455
Names & identifiers
- Preferred name
- CID 45434616
- IUPAC
- 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-phenylbutanoyl)piperazin-1-yl]quinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]-
- Molecular formula
- C27H28FN3O4
- Molecular weight
- 477.53
Names & synonyms
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]-
Database identifiers
- CAS
1054111-08-8- PubChem CID
- 45434616
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 860
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