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

C22H29Cl3N4O — CID 19027729

IUPAC5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
SMILESCl.Cl.Nc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN4O.2ClH/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,3,8-15,24H2;2*1H
InChIKeyJFZWOAWZOMABEL-UHFFFAOYSA-N
MW471.86 g/mol
LogP4.26
Rot. Bonds5

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

5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride (PubChem CID 19027729) has the molecular formula C22H29Cl3N4O and a molecular weight of 471.86 g/mol. Its IUPAC name is 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
PubChem CID19027729
Molecular FormulaC22H29Cl3N4O
Molecular Weight471.86 g/mol
Exact Mass470.14
IUPAC Name5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
SMILESCl.Cl.Nc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN4O.2ClH/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,3,8-15,24H2;2*1H
InChIKeyJFZWOAWZOMABEL-UHFFFAOYSA-N
XLogP4.26
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.86
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one
CID 10693902
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;dihydrochloride
CID 19423440
5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 19423441
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
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]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione
CID 10815166
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
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride?
The IUPAC name of 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride (CID 19027729) is 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride.
What is the SMILES notation for 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride?
The canonical SMILES for 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride is Cl.Cl.Nc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride?
The InChIKey is JFZWOAWZOMABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O.2ClH/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,3,8-15,24H2;2*1H.
What are the key properties of 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride?
5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride has a molecular weight of 471.86 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride is sourced from PubChem (CID 19027729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).