7-[3-(N-acetyl-n-propylamino)-1-pyrrolidinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

HCID 20531192

Notes Reactions

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Basic information

Standard SMILES: CCCN(C(C)=O)C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CC)C1
InChIKey: HLKVIXSBBZAKPD-UHFFFAOYSA-N
Molecular formula: C20H25FN4O4
Average molar mass: 404.4 g/mol

Names & identifiers

Preferred name: 7-[3-(N-acetyl-n-propylamino)-1-pyrrolidinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC: 7-[3-[acetyl(propyl)amino]pyrrolidin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Names & synonyms

SCHEMBL11287475HLKVIXSBBZAKPD-UHFFFAOYSA-N7-[3-(N-acetyl-n-propylamino)-1-pyrrolidinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Database identifiers

PubChem CID: 20531192

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 94.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 700

Related reactions

2 records

New reaction record

HRID 95191As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1759557As productuspto-grants-1982_07

Compound notes

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