7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C16H18N4O5 — CID 70550478

IUPAC7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCCOC(=O)N1CCN(c2ccc3c(=O)c(C(=O)O)c[nH]c3n2)CC1
InChIInChI=1S/C16H18N4O5/c1-2-25-16(24)20-7-5-19(6-8-20)12-4-3-10-13(21)11(15(22)23)9-17-14(10)18-12/h3-4,9H,2,5-8H2,1H3,(H,22,23)(H,17,18,21)
InChIKeyASUJTJIVLPSNLO-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.90
Rot. Bonds3

About 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 70550478) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID70550478
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCCOC(=O)N1CCN(c2ccc3c(=O)c(C(=O)O)c[nH]c3n2)CC1
InChIInChI=1S/C16H18N4O5/c1-2-25-16(24)20-7-5-19(6-8-20)12-4-3-10-13(21)11(15(22)23)9-17-14(10)18-12/h3-4,9H,2,5-8H2,1H3,(H,22,23)(H,17,18,21)
InChIKeyASUJTJIVLPSNLO-UHFFFAOYSA-N
XLogP0.90
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 54271919
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
ethyl 4-[2-(tert-butylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897885
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
ethyl 4-[7-oxo-4-(trifluoromethyl)-8H-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
CID 11793497
ethyl 4-[2-(2,4-dimethylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897903
ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 20519045
1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
CID 21442842
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593
(Z)-but-2-enedioic acid;ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 126476747
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 70550478) is 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is CCOC(=O)N1CCN(c2ccc3c(=O)c(C(=O)O)c[nH]c3n2)CC1.
What is the InChIKey of 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ASUJTJIVLPSNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-2-25-16(24)20-7-5-19(6-8-20)12-4-3-10-13(21)11(15(22)23)9-17-14(10)18-12/h3-4,9H,2,5-8H2,1H3,(H,22,23)(H,17,18,21).
What are the key properties of 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 70550478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).