2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C20H22N6O3 — CID 16675096

IUPAC2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccc2cc(C)c3nn(CC(=O)Nc4c(C)nn(C)c4C)c(=O)n3c2c1
InChIInChI=1S/C20H22N6O3/c1-11-8-14-6-7-15(29-5)9-16(14)26-19(11)23-25(20(26)28)10-17(27)21-18-12(2)22-24(4)13(18)3/h6-9H,10H2,1-5H3,(H,21,27)
InChIKeyMEWVEBCPCLSJRT-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.96
Rot. Bonds4

About 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 16675096) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID16675096
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccc2cc(C)c3nn(CC(=O)Nc4c(C)nn(C)c4C)c(=O)n3c2c1
InChIInChI=1S/C20H22N6O3/c1-11-8-14-6-7-15(29-5)9-16(14)26-19(11)23-25(20(26)28)10-17(27)21-18-12(2)22-24(4)13(18)3/h6-9H,10H2,1-5H3,(H,21,27)
InChIKeyMEWVEBCPCLSJRT-UHFFFAOYSA-N
XLogP1.96
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 16675473
8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 16675154
8-methoxy-4-methyl-2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 16675080
2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 126468288
2-(2-methylindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71690037
7-methoxy-4-methyl-2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 16668795
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47015272
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 7699065
2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46958965
N-(2,5-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028602
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028451
2-(4-chloro-5-methylpyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393480

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 16675096) is 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is COc1ccc2cc(C)c3nn(CC(=O)Nc4c(C)nn(C)c4C)c(=O)n3c2c1.
What is the InChIKey of 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MEWVEBCPCLSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-11-8-14-6-7-15(29-5)9-16(14)26-19(11)23-25(20(26)28)10-17(27)21-18-12(2)22-24(4)13(18)3/h6-9H,10H2,1-5H3,(H,21,27).
What are the key properties of 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 394.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16675096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).