7-[(3S,4R)-3-amino-4-ethylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid

HCID 11047282

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Basic information

CAS: 378746-67-9
Standard SMILES: CC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C[C@H]1N
InChIKey: FUDKJNYIYARHMJ-MLGOLLRUSA-N
Molecular formula: C21H27N3O4
Average molar mass: 385.5 g/mol
Monoisotopic mass: 385.20015635

Names & identifiers

Preferred name: 7-[(3S,4R)-3-amino-4-ethylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
IUPAC: 7-[(3S,4R)-3-amino-4-ethylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid

Names & synonyms

CHEMBL421101SCHEMBL4462127DTXSID401108526BDBM50474315378746-67-97-[(3S,4R)-3-Amino-4-ethyl-1-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Database identifiers

CAS: 378746-67-9
PubChem CID: 11047282
DTXSID: DTXSID401108526
ChEMBL: CHEMBL421101
Nikkaji: J1.885.972F

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 96.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 662

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