7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid

C22H24N4O3 — CID 12804065

IUPAC7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C22H24N4O3/c1-2-25-15-18(22(28)29)21(27)17-13-23-20(12-19(17)25)26-10-8-24(9-11-26)14-16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,28,29)
InChIKeyBSSZXXRVEBCUGF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.44
Rot. Bonds5

About 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid

7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid (PubChem CID 12804065) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid
PubChem CID12804065
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C22H24N4O3/c1-2-25-15-18(22(28)29)21(27)17-13-23-20(12-19(17)25)26-10-8-24(9-11-26)14-16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,28,29)
InChIKeyBSSZXXRVEBCUGF-UHFFFAOYSA-N
XLogP2.44
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate
CID 12804054
1-ethyl-6-fluoro-7-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 142486558
ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate
CID 12804052
1-ethyl-6-fluoro-7-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 142486523
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
1-ethyl-6-fluoro-7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142486682
1-ethenyl-7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1,6-naphthyridine-3-carboxylic acid
CID 21442842
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
1-ethyl-6-fluoro-7-[4-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 175113016
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid (CID 12804065) is 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cc21.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is BSSZXXRVEBCUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-25-15-18(22(28)29)21(27)17-13-23-20(12-19(17)25)26-10-8-24(9-11-26)14-16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,28,29).
What are the key properties of 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid?
7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 12804065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).