7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C16H21N3O2 — CID 70533964

IUPAC7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)C1CNCCN1c1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C16H21N3O2/c1-2-15(20)14-10-17-7-8-19(14)12-5-3-11-4-6-16(21)18-13(11)9-12/h3,5,9,14,17H,2,4,6-8,10H2,1H3,(H,18,21)
InChIKeyKNKXNPLWOVCEAI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.33
Rot. Bonds3

About 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one

7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70533964) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID70533964
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)C1CNCCN1c1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C16H21N3O2/c1-2-15(20)14-10-17-7-8-19(14)12-5-3-11-4-6-16(21)18-13(11)9-12/h3,5,9,14,17H,2,4,6-8,10H2,1H3,(H,18,21)
InChIKeyKNKXNPLWOVCEAI-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-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

7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13369863
5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidine-3-carboxamide
CID 168698309
(5R)-1,5-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)imidazolidine-2,4-dione
CID 138998489
6-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82294809
1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406933
5-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-oxazolidin-2-one
CID 118940539
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 168509383
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholine-2-carboxamide
CID 119788439
2-propanoylpiperazine-1-carbaldehyde
CID 22614385
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281

Frequently Asked Questions

What is the IUPAC name of 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 70533964) is 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one is CCC(=O)C1CNCCN1c1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KNKXNPLWOVCEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-15(20)14-10-17-7-8-19(14)12-5-3-11-4-6-16(21)18-13(11)9-12/h3,5,9,14,17H,2,4,6-8,10H2,1H3,(H,18,21).
What are the key properties of 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propanoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70533964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).