7-(3-t-Butoxycarbonylamino-1-pyrrolidinyl)-1-cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

HCID 10073005

Completing data — usually done within a minute

Basic information

CAS
112811-73-1
Standard SMILES
COc1c(N2CCC(NC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIKey
BJEYZLOTVBBXON-UHFFFAOYSA-N
Molecular formula
C23H28FN3O6
Average molar mass
461.5 g/mol
Monoisotopic mass
461.19621378

Names & identifiers

Preferred name
7-(3-t-Butoxycarbonylamino-1-pyrrolidinyl)-1-cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
IUPAC
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

Names & synonyms

SCHEMBL9158722BJEYZLOTVBBXON-UHFFFAOYSA-NDTXSID901101606112811-73-17-(3-t-butoxycarbonylamino-1-pyrrolidinyl)-1-cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid1-Cyclopropyl-7-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Database identifiers

CAS
112811-73-1
PubChem CID
10073005
DTXSID
DTXSID901101606

Properties

Computed structural propertiesFilling in

XLogP
3.6
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
33

Related reactions

3 records

Compound notes

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