1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

C15H18N4O3 — CID 12801675

IUPAC1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(N3CCNCC3)nc21
InChIInChI=1S/C15H18N4O3/c1-2-18-9-11(15(21)22)13(20)10-3-4-12(17-14(10)18)19-7-5-16-6-8-19/h3-4,9,16H,2,5-8H2,1H3,(H,21,22)
InChIKeyVWOHDTYQWAUQPW-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.52
Rot. Bonds3

About 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 12801675) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID12801675
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(N3CCNCC3)nc21
InChIInChI=1S/C15H18N4O3/c1-2-18-9-11(15(21)22)13(20)10-3-4-12(17-14(10)18)19-7-5-16-6-8-19/h3-4,9,16H,2,5-8H2,1H3,(H,21,22)
InChIKeyVWOHDTYQWAUQPW-UHFFFAOYSA-N
XLogP0.52
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 12801675) is 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc(N3CCNCC3)nc21.
What is the InChIKey of 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is VWOHDTYQWAUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-18-9-11(15(21)22)13(20)10-3-4-12(17-14(10)18)19-7-5-16-6-8-19/h3-4,9,16H,2,5-8H2,1H3,(H,21,22).
What are the key properties of 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 12801675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).