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

C22H25BrClN3O — CID 10766500

IUPAC6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(Br)ccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25BrClN3O/c23-18-6-7-21-17(15-18)5-8-22(28)27(21)10-2-9-25-11-13-26(14-12-25)20-4-1-3-19(24)16-20/h1,3-4,6-7,15-16H,2,5,8-14H2
InChIKeyPNLSMDSEJWIDSB-UHFFFAOYSA-N
MW462.82 g/mol
LogP4.59
Rot. Bonds5

About 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one

6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 10766500) has the molecular formula C22H25BrClN3O and a molecular weight of 462.82 g/mol. Its IUPAC name is 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID10766500
Molecular FormulaC22H25BrClN3O
Molecular Weight462.82 g/mol
Exact Mass461.09
IUPAC Name6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(Br)ccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25BrClN3O/c23-18-6-7-21-17(15-18)5-8-22(28)27(21)10-2-9-25-11-13-26(14-12-25)20-4-1-3-19(24)16-20/h1,3-4,6-7,15-16H,2,5,8-14H2
InChIKeyPNLSMDSEJWIDSB-UHFFFAOYSA-N
XLogP4.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.82
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
CID 10645430
5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 19027729
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one
CID 10693902
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-methyl-1,4-benzoxazin-3-one
CID 10739734
5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10549690
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
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
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione
CID 10815166
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408
(7aS)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 990015
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 10766500) is 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2cc(Br)ccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is PNLSMDSEJWIDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrClN3O/c23-18-6-7-21-17(15-18)5-8-22(28)27(21)10-2-9-25-11-13-26(14-12-25)20-4-1-3-19(24)16-20/h1,3-4,6-7,15-16H,2,5,8-14H2.
What are the key properties of 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 462.82 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10766500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).