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N-((1-ethylpyrrolidin-2-yl)methyl)-9-fluoro-1-hydroxy-5-methyl-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide hydrochloride

HCID 54696366
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Basic information

CAS
958445-26-6
Standard SMILES
CCN1CCCC1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3.Cl
InChIKey
JMSVFXDRCXIDMO-UHFFFAOYSA-N
Molecular formula
C21H27ClFN3O3
Average molar mass
423.9 g/mol
Monoisotopic mass
423.1724976

Names & identifiers

Preferred name
N-((1-ethylpyrrolidin-2-yl)methyl)-9-fluoro-1-hydroxy-5-methyl-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide hydrochloride
IUPAC
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide;hydrochloride

Names & synonyms

N-((1-ethylpyrrolidin-2-yl)methyl)-9-fluoro-1-hydroxy-5-methyl-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide hydrochlorideAKOS0244074859-fluoro-1-hydroxy-5-methyl-3-oxo-6,7-dihydro-3h,5h-pyrido[3,2,1-ij]quinoline-2-carboxylic acid 1-ethyl-pyrrolidin-2-ylmethylamide hydrochlorideN-[(1-ethyl-2-pyrrolidinyl)methyl]-9-fluoro-7-hydroxy-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide hydrochloride

Database identifiers

CAS
958445-26-6
PubChem CID
54696366
EC Number
125-839-0

Properties

Computed structural properties

Topological polar surface area
72.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Formal charge
0
Complexity
682

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