1-Ethyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

HCID 483502

Completing data — usually done within a minute

Basic information

CAS
91187-82-5
Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CNC)C3)nc21
InChIKey
KADAPIRHXVRMJV-UHFFFAOYSA-N
Molecular formula
C17H21FN4O3
Average molar mass
348.4 g/mol
Monoisotopic mass
348.15976875

Names & identifiers

Preferred name
1-Ethyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
IUPAC
1-ethyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

Names & synonyms

91187-82-51,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-1-ethyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-1-ethyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acidSCHEMBL9437319DTXSID80919904KADAPIRHXVRMJV-UHFFFAOYSA-N1-ethyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)-methyl]-1-pyrrolidinyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid1-ETHYL-6-FLUORO-1,4-DIHYDRO-7-[3-[(METHYLAMINO)METHYL]-1-PYRROLIDINYL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID

Database identifiers

CAS
91187-82-5
PubChem CID
483502
DTXSID
DTXSID80919904
Nikkaji
J772.236B

Properties

Computed structural propertiesFilling in

XLogP
0.4
Topological polar surface area
85.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
25

Related reactions

3 records

Compound notes

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