3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C24H30ClN3O2 — CID 120741648

IUPAC3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)CCC2Cc3ccccc3NC2=O)cc1.Cl
InChIInChI=1S/C24H29N3O2.ClH/c1-2-17-7-9-18(10-8-17)22-16-25-13-14-27(22)23(28)12-11-20-15-19-5-3-4-6-21(19)26-24(20)29;/h3-10,20,22,25H,2,11-16H2,1H3,(H,26,29);1H
InChIKeyYQJOOHOHTKIXHR-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.73
Rot. Bonds5

About 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 120741648) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID120741648
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)CCC2Cc3ccccc3NC2=O)cc1.Cl
InChIInChI=1S/C24H29N3O2.ClH/c1-2-17-7-9-18(10-8-17)22-16-25-13-14-27(22)23(28)12-11-20-15-19-5-3-4-6-21(19)26-24(20)29;/h3-10,20,22,25H,2,11-16H2,1H3,(H,26,29);1H
InChIKeyYQJOOHOHTKIXHR-UHFFFAOYSA-N
XLogP3.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride with MolForge

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120740736
2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 120741479
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 120741684
N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 120740899
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577735
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529
2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740500
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 120740298
3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 56817723

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 120741648) is 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CCc1ccc(C2CNCCN2C(=O)CCC2Cc3ccccc3NC2=O)cc1.Cl.
What is the InChIKey of 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is YQJOOHOHTKIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2.ClH/c1-2-17-7-9-18(10-8-17)22-16-25-13-14-27(22)23(28)12-11-20-15-19-5-3-4-6-21(19)26-24(20)29;/h3-10,20,22,25H,2,11-16H2,1H3,(H,26,29);1H.
What are the key properties of 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 120741648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).