sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C12H11N2NaO3 — CID 3864541

IUPACsodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.[Na+]
InChIInChI=1S/C12H12N2O3.Na/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;/h4-6H,3H2,1-2H3,(H,16,17);/q;+1/p-1
InChIKeyROKRAUFZFDQWLE-UHFFFAOYSA-M
MW254.22 g/mol
LogP-2.91
Rot. Bonds2

About sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 3864541) has the molecular formula C12H11N2NaO3 and a molecular weight of 254.22 g/mol. Its IUPAC name is sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namesodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID3864541
Molecular FormulaC12H11N2NaO3
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Namesodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.[Na+]
InChIInChI=1S/C12H12N2O3.Na/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;/h4-6H,3H2,1-2H3,(H,16,17);/q;+1/p-1
InChIKeyROKRAUFZFDQWLE-UHFFFAOYSA-M
XLogP-2.91
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-2.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 3864541) is sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.[Na+].
What is the InChIKey of sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is ROKRAUFZFDQWLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O3.Na/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;/h4-6H,3H2,1-2H3,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 254.22 g/mol, XLogP of -2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 3864541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).