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

C19H17N5O3 — CID 71520891

IUPACethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c3nnc(-c4cccnc4OC)n3c2c1
InChIInChI=1S/C19H17N5O3/c1-4-27-19(25)12-7-8-14-15(10-12)24-16(11(2)21-14)22-23-17(24)13-6-5-9-20-18(13)26-3/h5-10H,4H2,1-3H3
InChIKeyCFSYGTQBDSZTAN-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.83
Rot. Bonds4

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

ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate (PubChem CID 71520891) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate
PubChem CID71520891
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Nameethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c3nnc(-c4cccnc4OC)n3c2c1
InChIInChI=1S/C19H17N5O3/c1-4-27-19(25)12-7-8-14-15(10-12)24-16(11(2)21-14)22-23-17(24)13-6-5-9-20-18(13)26-3/h5-10H,4H2,1-3H3
InChIKeyCFSYGTQBDSZTAN-UHFFFAOYSA-N
XLogP2.83
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate with MolForge

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Related Compounds

N-ethyl-1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide
CID 71153277
12-methoxy-3-(2-methoxy-3-pyridinyl)-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46199327
ethyl 5-(2-methoxy-3-pyridinyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55184011
N-ethyl-4-methyl-1-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153327
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153218
ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11034945
ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate
CID 18681064
methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate
CID 67528907
ethyl 8-methoxy-2-methylimidazo[1,2-a]pyrazine-3-carboxylate
CID 13416938
ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
CID 18681035
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate?
The IUPAC name of ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate (CID 71520891) is ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate is CCOC(=O)c1ccc2nc(C)c3nnc(-c4cccnc4OC)n3c2c1.
What is the InChIKey of ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate?
The InChIKey is CFSYGTQBDSZTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-4-27-19(25)12-7-8-14-15(10-12)24-16(11(2)21-14)22-23-17(24)13-6-5-9-20-18(13)26-3/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate?
ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate has a molecular weight of 363.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxylate is sourced from PubChem (CID 71520891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).