6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid

C16H17FN4O3 — CID 14041766

IUPAC6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
SMILESC=C(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C16H17FN4O3/c1-9(2)21-8-11(16(23)24)13(22)10-7-12(17)15(19-14(10)21)20-5-3-18-4-6-20/h7-8,18H,1,3-6H2,2H3,(H,23,24)
InChIKeyYEABGOYSRWPXJB-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.13
Rot. Bonds3

About 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid

6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 14041766) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID14041766
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
SMILESC=C(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C16H17FN4O3/c1-9(2)21-8-11(16(23)24)13(22)10-7-12(17)15(19-14(10)21)20-5-3-18-4-6-20/h7-8,18H,1,3-6H2,2H3,(H,23,24)
InChIKeyYEABGOYSRWPXJB-UHFFFAOYSA-N
XLogP1.13
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70480613
6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 10667921
6-fluoro-4-oxo-7-piperazin-1-yl-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134359952
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 3057924
naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 25228872
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
1-ethyl-6-fluoro-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-piperazin-1-yl-1,8-naphthyridin-4-one
CID 175146812
sodium 1-tert-butyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 45028410
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13402027
6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 10715814

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid (CID 14041766) is 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid is C=C(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21.
What is the InChIKey of 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YEABGOYSRWPXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-9(2)21-8-11(16(23)24)13(22)10-7-12(17)15(19-14(10)21)20-5-3-18-4-6-20/h7-8,18H,1,3-6H2,2H3,(H,23,24).
What are the key properties of 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 332.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 14041766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).