Basic information
- Standard SMILES
Cc1c(F)c(N2CCC(n3cncn3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1- InChIKey
XKAUJZQXKYICDY-UHFFFAOYSA-N- Molecular formula
- C20H19F2N5O3
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.14559581
Names & identifiers
- Preferred name
- 1-Cyclopropyl-6,8-difluoro-5-methyl-7-[3-(1,2,4-triazol-1-yl)-pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-6,8-difluoro-5-methyl-4-oxo-7-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
Names & synonyms
SCHEMBL8132017XKAUJZQXKYICDY-UHFFFAOYSA-N1-Cyclopropyl-6,8-difluoro-5-methyl-7-[3-(1,2,4-triazol-1-yl)-pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 19006005
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 763
Related reactions
2 records
Compound notes
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