(R)-1-Ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Basic information
- CAS
98079-55-1- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21- InChIKey
ZEKZLJVOYLTDKK-SECBINFHSA-N- Molecular formula
- C17H19F2N3O3
- Average molar mass
- 351.35 g/mol
- Monoisotopic mass
- 351.1394478
Names & identifiers
- Preferred name
- (R)-1-Ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-ethyl-6,8-difluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
98079-55-1SCHEMBL34610(R)-1-Ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidSCHEMBL29895425DTXSID004317191-ethyl-6,8-difluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acidNS00099088
Database identifiers
- CAS
98079-55-1- PubChem CID
- 9843232
- DTXSID
DTXSID00431719- Nikkaji
- J379.986G
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 585
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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Compound notes
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