2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide

C22H22N4O3 — CID 20887364

IUPAC2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCc1nn(CC(=O)NCc2cccc(OC)c2)c(=O)c2cc3ccccc3n12
InChIInChI=1S/C22H22N4O3/c1-3-20-24-25(14-21(27)23-13-15-7-6-9-17(11-15)29-2)22(28)19-12-16-8-4-5-10-18(16)26(19)20/h4-12H,3,13-14H2,1-2H3,(H,23,27)
InChIKeyNDNXTXZPIRVLAF-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.54
Rot. Bonds6

About 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide

2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 20887364) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID20887364
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCc1nn(CC(=O)NCc2cccc(OC)c2)c(=O)c2cc3ccccc3n12
InChIInChI=1S/C22H22N4O3/c1-3-20-24-25(14-21(27)23-13-15-7-6-9-17(11-15)29-2)22(28)19-12-16-8-4-5-10-18(16)26(19)20/h4-12H,3,13-14H2,1-2H3,(H,23,27)
InChIKeyNDNXTXZPIRVLAF-UHFFFAOYSA-N
XLogP2.54
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 20893856
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884847
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53061570
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20885004
ethyl 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 168797397
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide
CID 20884826
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 20884842
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20884907
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20884837
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 50927047
5-iodo-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxylic acid
CID 166720894

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 20887364) is 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide is CCc1nn(CC(=O)NCc2cccc(OC)c2)c(=O)c2cc3ccccc3n12.
What is the InChIKey of 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is NDNXTXZPIRVLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-20-24-25(14-21(27)23-13-15-7-6-9-17(11-15)29-2)22(28)19-12-16-8-4-5-10-18(16)26(19)20/h4-12H,3,13-14H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20887364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).