3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride

C23H26Cl3N3O3 — CID 25142637

IUPAC3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
SMILESCCCN1C(=O)C(N2CCN(c3cccc(Cl)c3Cl)CC2)Cc2ccc(C(=O)O)cc21.Cl
InChIInChI=1S/C23H25Cl2N3O3.ClH/c1-2-8-28-19-14-16(23(30)31)7-6-15(19)13-20(22(28)29)27-11-9-26(10-12-27)18-5-3-4-17(24)21(18)25;/h3-7,14,20H,2,8-13H2,1H3,(H,30,31);1H
InChIKeyXIVXMLRSENMDRA-UHFFFAOYSA-N
MW498.84 g/mol
LogP4.60
Rot. Bonds5

About 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride

3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride (PubChem CID 25142637) has the molecular formula C23H26Cl3N3O3 and a molecular weight of 498.84 g/mol. Its IUPAC name is 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
PubChem CID25142637
Molecular FormulaC23H26Cl3N3O3
Molecular Weight498.84 g/mol
Exact Mass497.10
IUPAC Name3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
SMILESCCCN1C(=O)C(N2CCN(c3cccc(Cl)c3Cl)CC2)Cc2ccc(C(=O)O)cc21.Cl
InChIInChI=1S/C23H25Cl2N3O3.ClH/c1-2-8-28-19-14-16(23(30)31)7-6-15(19)13-20(22(28)29)27-11-9-26(10-12-27)18-5-3-4-17(24)21(18)25;/h3-7,14,20H,2,8-13H2,1H3,(H,30,31);1H
InChIKeyXIVXMLRSENMDRA-UHFFFAOYSA-N
XLogP4.60
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 146525607
1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
CID 25142636
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 141198642
(6aR)-5-benzyl-6-oxo-7,8,9,11-tetrahydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid
CID 97033025
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,3-benzothiazole-6-carboxylic acid
CID 166127638
ethyl 1-[(3R)-1-(2,3-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 92698727
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
1-[(4-chlorophenyl)methyl]-3-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 17391217
7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10479465

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride?
The IUPAC name of 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride (CID 25142637) is 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride?
The canonical SMILES for 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride is CCCN1C(=O)C(N2CCN(c3cccc(Cl)c3Cl)CC2)Cc2ccc(C(=O)O)cc21.Cl.
What is the InChIKey of 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride?
The InChIKey is XIVXMLRSENMDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3.ClH/c1-2-8-28-19-14-16(23(30)31)7-6-15(19)13-20(22(28)29)27-11-9-26(10-12-27)18-5-3-4-17(24)21(18)25;/h3-7,14,20H,2,8-13H2,1H3,(H,30,31);1H.
What are the key properties of 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride?
3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride has a molecular weight of 498.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 25142637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).