2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide

C19H24N6O2 — CID 44587765

IUPAC2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)CCc2nnc(C)n2-3)CC1
InChIInChI=1S/C19H24N6O2/c1-13-21-22-18-6-3-15-11-16(4-5-17(15)25(13)18)20-19(27)12-23-7-9-24(10-8-23)14(2)26/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,27)
InChIKeyGSXRRSNVNXMSEL-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.78
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide (PubChem CID 44587765) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
PubChem CID44587765
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)CCc2nnc(C)n2-3)CC1
InChIInChI=1S/C19H24N6O2/c1-13-21-22-18-6-3-15-11-16(4-5-17(15)25(13)18)20-19(27)12-23-7-9-24(10-8-23)14(2)26/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,27)
InChIKeyGSXRRSNVNXMSEL-UHFFFAOYSA-N
XLogP0.78
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzyl-1,4-diazepan-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
CID 50900556
2-[4-[[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methyl]-1,4-diazepan-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
CID 25188157
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(1-butyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 71494390
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 25499636
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
CID 70690546
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
CID 70690547
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663891
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide (CID 44587765) is 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)CCc2nnc(C)n2-3)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The InChIKey is GSXRRSNVNXMSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-21-22-18-6-3-15-11-16(4-5-17(15)25(13)18)20-19(27)12-23-7-9-24(10-8-23)14(2)26/h4-5,11H,3,6-10,12H2,1-2H3,(H,20,27).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide is sourced from PubChem (CID 44587765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).