2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide

C19H22N4O3 — CID 70714121

IUPAC2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(=O)NCCN1C(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C19H22N4O3/c1-11-4-5-15-13(8-11)14(9-12(2)22-15)19(26)23-7-6-21-18(25)16(23)10-17(24)20-3/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyYNIFHJXQIWUSKR-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.93
Rot. Bonds3

About 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide

2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 70714121) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID70714121
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(=O)NCCN1C(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C19H22N4O3/c1-11-4-5-15-13(8-11)14(9-12(2)22-15)19(26)23-7-6-21-18(25)16(23)10-17(24)20-3/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyYNIFHJXQIWUSKR-UHFFFAOYSA-N
XLogP0.93
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034046
N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide
CID 91768233
3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
CID 72903841
2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95394317
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 4878165
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
CID 46994284
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 70768563
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500
(2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 154758772
2-[1-[3-(2-fluoro-4-hydroxyphenyl)benzoyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 121496108

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide (CID 70714121) is 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide is CNC(=O)CC1C(=O)NCCN1C(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is YNIFHJXQIWUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-4-5-15-13(8-11)14(9-12(2)22-15)19(26)23-7-6-21-18(25)16(23)10-17(24)20-3/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 354.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 70714121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).