4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one

C17H19N3O2 — CID 46994284

IUPAC4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
SMILESCc1ccc2nc(C)c(C(=O)N3CCNC(=O)C3C)cc2c1
InChIInChI=1S/C17H19N3O2/c1-10-4-5-15-13(8-10)9-14(11(2)19-15)17(22)20-7-6-18-16(21)12(20)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,18,21)
InChIKeyJJBRYQABKWNEHW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.81
Rot. Bonds1

About 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one

4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one (PubChem CID 46994284) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
PubChem CID46994284
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
SMILESCc1ccc2nc(C)c(C(=O)N3CCNC(=O)C3C)cc2c1
InChIInChI=1S/C17H19N3O2/c1-10-4-5-15-13(8-10)9-14(11(2)19-15)17(22)20-7-6-18-16(21)12(20)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,18,21)
InChIKeyJJBRYQABKWNEHW-UHFFFAOYSA-N
XLogP1.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 63608011
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
CID 124699298
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
CID 103779351
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585543
4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 63600921
(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764274
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
CID 72903841

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one (CID 46994284) is 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one is Cc1ccc2nc(C)c(C(=O)N3CCNC(=O)C3C)cc2c1.
What is the InChIKey of 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is JJBRYQABKWNEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10-4-5-15-13(8-10)9-14(11(2)19-15)17(22)20-7-6-18-16(21)12(20)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,18,21).
What are the key properties of 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one?
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46994284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).