1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride

C22H25Cl2N3O2 — CID 120739511

IUPAC1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2ccccc2N1CCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2.ClH/c23-18-7-3-2-6-17(18)20-15-24-12-14-26(20)22(28)11-13-25-19-8-4-1-5-16(19)9-10-21(25)27;/h1-8,20,24H,9-15H2;1H
InChIKeyVKRHZKPBZHXRLC-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.60
Rot. Bonds4

About 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride

1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 120739511) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID120739511
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2ccccc2N1CCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2.ClH/c23-18-7-3-2-6-17(18)20-15-24-12-14-26(20)22(28)11-13-25-19-8-4-1-5-16(19)9-10-21(25)27;/h1-8,20,24H,9-15H2;1H
InChIKeyVKRHZKPBZHXRLC-UHFFFAOYSA-N
XLogP3.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 120739668
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one;hydrochloride
CID 120738248
2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 120739303
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 120739364
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 120739011

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride (CID 120739511) is 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride is Cl.O=C1CCc2ccccc2N1CCC(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is VKRHZKPBZHXRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2.ClH/c23-18-7-3-2-6-17(18)20-15-24-12-14-26(20)22(28)11-13-25-19-8-4-1-5-16(19)9-10-21(25)27;/h1-8,20,24H,9-15H2;1H.
What are the key properties of 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride?
1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 434.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 120739511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).