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

C22H25Cl2N3O — CID 10693309

IUPAC5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25Cl2N3O/c23-17-4-1-5-18(16-17)26-14-12-25(13-15-26)10-3-11-27-21-7-2-6-20(24)19(21)8-9-22(27)28/h1-2,4-7,16H,3,8-15H2
InChIKeyYOFLOABAUVPEIB-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.48
Rot. Bonds5

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

5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 10693309) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID10693309
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC Name5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25Cl2N3O/c23-17-4-1-5-18(16-17)26-14-12-25(13-15-26)10-3-11-27-21-7-2-6-20(24)19(21)8-9-22(27)28/h1-2,4-7,16H,3,8-15H2
InChIKeyYOFLOABAUVPEIB-UHFFFAOYSA-N
XLogP4.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 10693309) is 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is YOFLOABAUVPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c23-17-4-1-5-18(16-17)26-14-12-25(13-15-26)10-3-11-27-21-7-2-6-20(24)19(21)8-9-22(27)28/h1-2,4-7,16H,3,8-15H2.
What are the key properties of 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 418.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10693309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).