tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate

C11H10N2O3 — CID 147507545

IUPACtritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILES[3H]OC(=O)c1cn(C)c2nc(C)ccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-6-3-4-7-9(14)8(11(15)16)5-13(2)10(7)12-6/h3-5H,1-2H3,(H,15,16)/i/hT
InChIKeyFIQGPIHRUIEFQF-MNYXATJNSA-N
MW220.22 g/mol
LogP0.94
Rot. Bonds1

About tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate

tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 147507545) has the molecular formula C11H10N2O3 and a molecular weight of 220.22 g/mol. Its IUPAC name is tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nametritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID147507545
Molecular FormulaC11H10N2O3
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Nametritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILES[3H]OC(=O)c1cn(C)c2nc(C)ccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-6-3-4-7-9(14)8(11(15)16)5-13(2)10(7)12-6/h3-5H,1-2H3,(H,15,16)/i/hT
InChIKeyFIQGPIHRUIEFQF-MNYXATJNSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
7-methyl-3-(4-methylbenzoyl)-1-pentyl-1,8-naphthyridin-4-one
CID 22424301
1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide
CID 95626571
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
N-(2,5-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929530
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
1-ethyl-7-methyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660892
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372

Frequently Asked Questions

What is the IUPAC name of tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 147507545) is tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate is [3H]OC(=O)c1cn(C)c2nc(C)ccc2c1=O.
What is the InChIKey of tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is FIQGPIHRUIEFQF-MNYXATJNSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-3-4-7-9(14)8(11(15)16)5-13(2)10(7)12-6/h3-5H,1-2H3,(H,15,16)/i/hT.
What are the key properties of tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 220.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 147507545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).