ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate

C15H14N4O4 — CID 155927166

IUPACethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate
SMILESCCOC(=O)c1cnnn1-c1cc(=O)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H14N4O4/c1-3-23-15(21)13-8-16-18-19(13)12-7-14(20)17-11-5-4-9(22-2)6-10(11)12/h4-8H,3H2,1-2H3,(H,17,20)
InChIKeyAHTFQSMJVNOVIK-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.29
Rot. Bonds4

About ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate

ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate (PubChem CID 155927166) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate
PubChem CID155927166
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Nameethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate
SMILESCCOC(=O)c1cnnn1-c1cc(=O)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H14N4O4/c1-3-23-15(21)13-8-16-18-19(13)12-7-14(20)17-11-5-4-9(22-2)6-10(11)12/h4-8H,3H2,1-2H3,(H,17,20)
InChIKeyAHTFQSMJVNOVIK-UHFFFAOYSA-N
XLogP1.29
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate?
The IUPAC name of ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate (CID 155927166) is ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate?
The canonical SMILES for ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate is CCOC(=O)c1cnnn1-c1cc(=O)[nH]c2ccc(OC)cc12.
What is the InChIKey of ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate?
The InChIKey is AHTFQSMJVNOVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-3-23-15(21)13-8-16-18-19(13)12-7-14(20)17-11-5-4-9(22-2)6-10(11)12/h4-8H,3H2,1-2H3,(H,17,20).
What are the key properties of ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate?
ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methoxy-2-oxo-1H-quinolin-4-yl)triazole-4-carboxylate is sourced from PubChem (CID 155927166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).