WT7488Bzd3

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Basic information

CAS: 473839-20-2
Standard SMILES: COc1c(N2CC[C@H](N)C(C)(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIKey: PMBHAWNZPPNADR-HNNXBMFYSA-N
Molecular formula: C21H26FN3O4
Average molar mass: 403.4 g/mol
Monoisotopic mass: 403.19073448

Names & identifiers

Preferred name: WT7488Bzd3
IUPAC: 7-[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Names & synonyms

WCK-1152WT7488BZD3473839-20-2WCK-1152AWCK1152UNII-WT7488BZD33-Quinolinecarboxylic acid, 7-((4S)-4-amino-3,3-dimethyl-1-piperidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-7-((4S)-4-Amino-3,3-dimethyl-1-piperidyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acidSCHEMBL4460676CHEMBL52046117-[(4S)-4-Amino-3,3-dimethyl-1-piperidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Database identifiers

CAS: 473839-20-2
PubChem CID: 11619057
ChEMBL: CHEMBL5204611
UNII: WT7488BZD3

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 96.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 723

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Compound notes

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