1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone

C17H25N3O — CID 65463000

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone
SMILESCC1(C)CNCCN1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-17(2)13-18-9-11-19(17)12-16(21)20-10-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,18H,5,7,9-13H2,1-2H3
InChIKeyIBKPZKGHZYJJQD-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.65
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone (PubChem CID 65463000) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone
PubChem CID65463000
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone
SMILESCC1(C)CNCCN1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-17(2)13-18-9-11-19(17)12-16(21)20-10-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,18H,5,7,9-13H2,1-2H3
InChIKeyIBKPZKGHZYJJQD-UHFFFAOYSA-N
XLogP1.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone 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

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2126300
2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 65460575
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone (CID 65463000) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone is CC1(C)CNCCN1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone?
The InChIKey is IBKPZKGHZYJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2)13-18-9-11-19(17)12-16(21)20-10-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,18H,5,7,9-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 65463000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).