1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid

C18H20N4O5 — CID 21442842

IUPAC1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=O)OCC)CC3)cc21
InChIInChI=1S/C18H20N4O5/c1-3-20-11-13(17(24)25)16(23)12-10-19-15(9-14(12)20)21-5-7-22(8-6-21)18(26)27-4-2/h3,9-11H,1,4-8H2,2H3,(H,24,25)
InChIKeyFIASUHKLGBQWJW-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.47
Rot. Bonds4

About 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid

1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid (PubChem CID 21442842) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
PubChem CID21442842
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=O)OCC)CC3)cc21
InChIInChI=1S/C18H20N4O5/c1-3-20-11-13(17(24)25)16(23)12-10-19-15(9-14(12)20)21-5-7-22(8-6-21)18(26)27-4-2/h3,9-11H,1,4-8H2,2H3,(H,24,25)
InChIKeyFIASUHKLGBQWJW-UHFFFAOYSA-N
XLogP1.47
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 98032415
ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate
CID 12804052
ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate
CID 12804054
7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 70550478
7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid
CID 12804065
4-(4-ethoxycarbonylpiperazin-1-yl)-2-methylbenzoic acid
CID 107877072
ethyl 4-(5-amino-3-bromo-2-pyridinyl)piperazine-1-carboxylate
CID 107876726
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
ethyl 4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109345115
5-ethenyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid
CID 154091931
2-(4-ethoxycarbonylpiperazin-1-yl)-6-(pentanoylamino)quinoline-4-carboxylic acid
CID 46326967

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid (CID 21442842) is 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid is C=Cn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=O)OCC)CC3)cc21.
What is the InChIKey of 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is FIASUHKLGBQWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-3-20-11-13(17(24)25)16(23)12-10-19-15(9-14(12)20)21-5-7-22(8-6-21)18(26)27-4-2/h3,9-11H,1,4-8H2,2H3,(H,24,25).
What are the key properties of 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid?
1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 21442842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).