ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate

C19H16N4O2 — CID 11034945

IUPACethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n2c(-c3ccccc3C)nnc12
InChIInChI=1S/C19H16N4O2/c1-3-25-19(24)15-11-13-8-6-10-20-16(13)23-17(21-22-18(15)23)14-9-5-4-7-12(14)2/h4-11H,3H2,1-2H3
InChIKeyDBTKNXCBWFQROC-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.43
Rot. Bonds3

About ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate

ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate (PubChem CID 11034945) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
PubChem CID11034945
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Nameethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n2c(-c3ccccc3C)nnc12
InChIInChI=1S/C19H16N4O2/c1-3-25-19(24)15-11-13-8-6-10-20-16(13)23-17(21-22-18(15)23)14-9-5-4-7-12(14)2/h4-11H,3H2,1-2H3
InChIKeyDBTKNXCBWFQROC-UHFFFAOYSA-N
XLogP3.43
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11046411
ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate
CID 67010881
ethyl 3-chloro-6-(2-methylphenyl)pyridazine-4-carboxylate
CID 121205187
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate
CID 71520891
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157
ethyl 8-methylfuro[2,3-h]quinoline-6-carboxylate
CID 51350321
ethyl 5-chloro-2-(2-methylphenyl)benzoate
CID 142890235
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate (CID 11034945) is ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate is CCOC(=O)c1cc2cccnc2n2c(-c3ccccc3C)nnc12.
What is the InChIKey of ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is DBTKNXCBWFQROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-3-25-19(24)15-11-13-8-6-10-20-16(13)23-17(21-22-18(15)23)14-9-5-4-7-12(14)2/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate?
ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 11034945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).