1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one

C23H26ClN3O2 — CID 10716593

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one
SMILESCOc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyFWEULTNOPCGTTA-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.88
Rot. Bonds6

About 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one (PubChem CID 10716593) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one
PubChem CID10716593
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one
SMILESCOc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyFWEULTNOPCGTTA-UHFFFAOYSA-N
XLogP3.88
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dehydroaripiprazole
CID 10114519
Opc-14523
CID 9892540
Methanone, (4-(3-chlorophenyl)-1-piperazinyl)(4-methoxyphenyl)-
CID 585383
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
1-[4-(3-Chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 690540
1-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one
CID 10502625
5-Chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10549690
1-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-propyl}-5-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 10716691
1-{3-[4-(3-Bromo-phenyl)-piperazin-1-yl]-propyl}-5-methoxy-1H-quinolin-2-one (HCl)
CID 10766202
1-[3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one
CID 10787911
5-Methoxy-1-{3-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propyl}-1H-quinolin-2-one (HCl)
CID 11797587

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one (CID 10716593) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one is COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one?
The InChIKey is FWEULTNOPCGTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19/h2-3,5-10,17H,4,11-16H2,1H3.
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one?
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one has a molecular weight of 411.93 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one is sourced from PubChem (CID 10716593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).