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

C12H13N2NaO4 — CID 23675318

IUPACsodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate
SMILESCCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.O.[Na+]
InChIInChI=1S/C12H12N2O3.Na.H2O/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);;1H2/q;+1;/p-1
InChIKeyOWEXQJSSKQXXSX-UHFFFAOYSA-M
MW272.24 g/mol
LogP-3.73
Rot. Bonds2

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

sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate (PubChem CID 23675318) has the molecular formula C12H13N2NaO4 and a molecular weight of 272.24 g/mol. Its IUPAC name is sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate.

Molecular Properties

Compound Namesodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate
PubChem CID23675318
Molecular FormulaC12H13N2NaO4
Molecular Weight272.24 g/mol
Exact Mass272.08
IUPAC Namesodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate
SMILESCCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.O.[Na+]
InChIInChI=1S/C12H12N2O3.Na.H2O/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);;1H2/q;+1;/p-1
InChIKeyOWEXQJSSKQXXSX-UHFFFAOYSA-M
XLogP-3.73
TPSA106.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 5-3.73
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;hydrate?
The IUPAC name of sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate (CID 23675318) is sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate.
What is the SMILES notation for sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate?
The canonical SMILES for sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate is CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.O.[Na+].
What is the InChIKey of sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate?
The InChIKey is OWEXQJSSKQXXSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O3.Na.H2O/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);;1H2/q;+1;/p-1.
What are the key properties of sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate?
sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;hydrate has a molecular weight of 272.24 g/mol, XLogP of -3.73, 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;hydrate is sourced from PubChem (CID 23675318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).