2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one

C18H23N3O — CID 108741550

IUPAC2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H23N3O/c1-18(2,3)17(22)21-12-10-20(11-13-21)16-9-8-14-6-4-5-7-15(14)19-16/h4-9H,10-13H2,1-3H3
InChIKeyKXTMUDUULSYKDQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.93
Rot. Bonds1

About 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one

2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 108741550) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID108741550
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H23N3O/c1-18(2,3)17(22)21-12-10-20(11-13-21)16-9-8-14-6-4-5-7-15(14)19-16/h4-9H,10-13H2,1-3H3
InChIKeyKXTMUDUULSYKDQ-UHFFFAOYSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one 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

phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 167768729
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82331730
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348555
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one (CID 108741550) is 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is KXTMUDUULSYKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2,3)17(22)21-12-10-20(11-13-21)16-9-8-14-6-4-5-7-15(14)19-16/h4-9H,10-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 297.40 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 108741550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).