1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C17H17FN4O4 — CID 71080635

IUPAC1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2nc(N3CCC(=NCO)C3)c(F)cc2c1=O
InChIInChI=1S/C17H17FN4O4/c18-13-5-11-14(24)12(17(25)26)7-22(10-1-2-10)15(11)20-16(13)21-4-3-9(6-21)19-8-23/h5,7,10,23H,1-4,6,8H2,(H,25,26)
InChIKeyDZQWIFBKAFEDJQ-UHFFFAOYSA-N
MW360.35 g/mol
LogP1.17
Rot. Bonds4

About 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 71080635) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID71080635
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2nc(N3CCC(=NCO)C3)c(F)cc2c1=O
InChIInChI=1S/C17H17FN4O4/c18-13-5-11-14(24)12(17(25)26)7-22(10-1-2-10)15(11)20-16(13)21-4-3-9(6-21)19-8-23/h5,7,10,23H,1-4,6,8H2,(H,25,26)
InChIKeyDZQWIFBKAFEDJQ-UHFFFAOYSA-N
XLogP1.17
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383090
7-[3-(aminomethyl)-4-methoxyimino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 75242853
7-[(3R,4E)-3-(aminomethyl)-4-methoxyimino-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methane
CID 172981152
7-[(3S,4Z)-3-(aminomethyl)-4-methoxyimino-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45263982
7-[(3S,4R)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383038
1-cyclopropyl-7-[(4E)-3-[(cyclopropylamino)methyl]-4-methoxyiminopyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 127035784
7-[(1R,5S,6S)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22862065
1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 15231291
7-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 15713457
1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyrimidin-2-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 19959049

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 71080635) is 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2nc(N3CCC(=NCO)C3)c(F)cc2c1=O.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is DZQWIFBKAFEDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c18-13-5-11-14(24)12(17(25)26)7-22(10-1-2-10)15(11)20-16(13)21-4-3-9(6-21)19-8-23/h5,7,10,23H,1-4,6,8H2,(H,25,26).
What are the key properties of 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 360.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethylimino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 71080635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).