4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one

C19H28N4O2 — CID 119883298

IUPAC4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C19H28N4O2/c20-9-3-8-18(24)22-13-11-21(12-14-22)15-19(25)23-10-4-6-16-5-1-2-7-17(16)23/h1-2,5,7H,3-4,6,8-15,20H2
InChIKeyIFWOWSZRHOMODI-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.85
Rot. Bonds5

About 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one

4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one (PubChem CID 119883298) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
PubChem CID119883298
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C19H28N4O2/c20-9-3-8-18(24)22-13-11-21(12-14-22)15-19(25)23-10-4-6-16-5-1-2-7-17(16)23/h1-2,5,7H,3-4,6,8-15,20H2
InChIKeyIFWOWSZRHOMODI-UHFFFAOYSA-N
XLogP0.85
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-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

4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]pentan-1-one
CID 120565523
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
CID 86902954
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 111496396
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
CID 119747287

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one (CID 119883298) is 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one?
The InChIKey is IFWOWSZRHOMODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-9-3-8-18(24)22-13-11-21(12-14-22)15-19(25)23-10-4-6-16-5-1-2-7-17(16)23/h1-2,5,7H,3-4,6,8-15,20H2.
What are the key properties of 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one?
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one has a molecular weight of 344.46 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119883298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).