6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

C15H16FIN4O3 — CID 70480613

IUPAC6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESCC(I)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C15H16FIN4O3/c1-8(17)21-7-10(15(23)24)12(22)9-6-11(16)14(19-13(9)21)20-4-2-18-3-5-20/h6-8,18H,2-5H2,1H3,(H,23,24)
InChIKeyIAMAPIUBPPAXRL-UHFFFAOYSA-N
MW446.22 g/mol
LogP1.60
Rot. Bonds3

About 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70480613) has the molecular formula C15H16FIN4O3 and a molecular weight of 446.22 g/mol. Its IUPAC name is 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID70480613
Molecular FormulaC15H16FIN4O3
Molecular Weight446.22 g/mol
Exact Mass446.03
IUPAC Name6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESCC(I)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C15H16FIN4O3/c1-8(17)21-7-10(15(23)24)12(22)9-6-11(16)14(19-13(9)21)20-4-2-18-3-5-20/h6-8,18H,2-5H2,1H3,(H,23,24)
InChIKeyIAMAPIUBPPAXRL-UHFFFAOYSA-N
XLogP1.60
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 14041766
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
ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 14664850
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
4-[3-carboxy-6-fluoro-1-(1-iodoethyl)-4-oxoquinolin-7-yl]-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 70470841

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 70480613) is 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is CC(I)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21.
What is the InChIKey of 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IAMAPIUBPPAXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FIN4O3/c1-8(17)21-7-10(15(23)24)12(22)9-6-11(16)14(19-13(9)21)20-4-2-18-3-5-20/h6-8,18H,2-5H2,1H3,(H,23,24).
What are the key properties of 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 446.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70480613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).