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

C23H26ClN3O2 — CID 57128124

IUPAC1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one
SMILESCOc1cccc2c1ccc(=O)n2CCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-29-22-5-2-4-21-20(22)10-11-23(28)27(21)13-3-12-25-14-16-26(17-15-25)19-8-6-18(24)7-9-19/h2,4-11H,3,12-17H2,1H3
InChIKeyWLJCPXXMGVCLON-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.88
Rot. Bonds6

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

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one (PubChem CID 57128124) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one
PubChem CID57128124
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one
SMILESCOc1cccc2c1ccc(=O)n2CCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-29-22-5-2-4-21-20(22)10-11-23(28)27(21)13-3-12-25-14-16-26(17-15-25)19-8-6-18(24)7-9-19/h2,4-11H,3,12-17H2,1H3
InChIKeyWLJCPXXMGVCLON-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

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617076
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617041
1-(4-chlorophenyl)-4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 90477466
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one
CID 10573099
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
(E)-5-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
CID 6437941
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one
CID 139617099
1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 102058215

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one (CID 57128124) is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one is COc1cccc2c1ccc(=O)n2CCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one?
The InChIKey is WLJCPXXMGVCLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-29-22-5-2-4-21-20(22)10-11-23(28)27(21)13-3-12-25-14-16-26(17-15-25)19-8-6-18(24)7-9-19/h2,4-11H,3,12-17H2,1H3.
What are the key properties of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one?
1-[3-[4-(4-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-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one is sourced from PubChem (CID 57128124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).