ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate

C19H15ClN4O2 — CID 71153110

IUPACethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
InChIInChI=1S/C19H15ClN4O2/c1-3-26-19(25)12-8-9-15-16(10-12)24-17(11(2)21-15)22-23-18(24)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3
InChIKeyMKNKYIBULNNKQR-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.08
Rot. Bonds3

About ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate

ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate (PubChem CID 71153110) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate
PubChem CID71153110
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Nameethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
InChIInChI=1S/C19H15ClN4O2/c1-3-26-19(25)12-8-9-15-16(10-12)24-17(11(2)21-15)22-23-18(24)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3
InChIKeyMKNKYIBULNNKQR-UHFFFAOYSA-N
XLogP4.08
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate?
The IUPAC name of ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate (CID 71153110) is ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate.
What is the SMILES notation for ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate?
The canonical SMILES for ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate is CCOC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1.
What is the InChIKey of ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate?
The InChIKey is MKNKYIBULNNKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-3-26-19(25)12-8-9-15-16(10-12)24-17(11(2)21-15)22-23-18(24)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate?
ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate has a molecular weight of 366.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate is sourced from PubChem (CID 71153110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).