1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one

C23H28ClN3OS — CID 10693902

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one
SMILESCSc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H28ClN3OS/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/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyBOVCXCSFEOUOPA-UHFFFAOYSA-N
MW430.02 g/mol
LogP4.55
Rot. Bonds6

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

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one (PubChem CID 10693902) has the molecular formula C23H28ClN3OS and a molecular weight of 430.02 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one
PubChem CID10693902
Molecular FormulaC23H28ClN3OS
Molecular Weight430.02 g/mol
Exact Mass429.16
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one
SMILESCSc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H28ClN3OS/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/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyBOVCXCSFEOUOPA-UHFFFAOYSA-N
XLogP4.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.02
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 19027729
5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10549690
6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10766500
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
CID 10645430
5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 19423441
5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 19423440
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-methyl-1,4-benzoxazin-3-one
CID 10739734
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408
5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 159502547
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione
CID 10815166

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one (CID 10693902) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one is CSc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one?
The InChIKey is BOVCXCSFEOUOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3OS/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/h2-3,5-8,17H,4,9-16H2,1H3.
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one?
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one has a molecular weight of 430.02 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10693902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).