2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C22H20N6O2 — CID 53156812

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(-c2ccccn2)cc2nn(CC(=O)N3CCCc4ccccc43)c(=O)n12
InChIInChI=1S/C22H20N6O2/c1-15-24-18(17-9-4-5-11-23-17)13-20-25-27(22(30)28(15)20)14-21(29)26-12-6-8-16-7-2-3-10-19(16)26/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyDJXPENJPJYNVAU-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.24
Rot. Bonds3

About 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 53156812) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID53156812
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(-c2ccccn2)cc2nn(CC(=O)N3CCCc4ccccc43)c(=O)n12
InChIInChI=1S/C22H20N6O2/c1-15-24-18(17-9-4-5-11-23-17)13-20-25-27(22(30)28(15)20)14-21(29)26-12-6-8-16-7-2-3-10-19(16)26/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyDJXPENJPJYNVAU-UHFFFAOYSA-N
XLogP2.24
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 51363612
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
CID 7747963
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 166199749
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 90517683
5-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95099046
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093101
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-10-methyl-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
CID 1435083
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331023
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 29279136
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 7666246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 53156812) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(-c2ccccn2)cc2nn(CC(=O)N3CCCc4ccccc43)c(=O)n12.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is DJXPENJPJYNVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-15-24-18(17-9-4-5-11-23-17)13-20-25-27(22(30)28(15)20)14-21(29)26-12-6-8-16-7-2-3-10-19(16)26/h2-5,7,9-11,13H,6,8,12,14H2,1H3.
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 400.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 53156812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).