6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one

C23H28ClN3O — CID 13084721

IUPAC6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N1
InChIInChI=1S/C23H28ClN3O/c24-20-5-3-6-21(17-20)27-14-12-26(13-15-27)11-2-1-4-18-7-9-22-19(16-18)8-10-23(28)25-22/h3,5-7,9,16-17H,1-2,4,8,10-15H2,(H,25,28)
InChIKeyGXKHGUASZBXVLE-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.37
Rot. Bonds6

About 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13084721) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13084721
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N1
InChIInChI=1S/C23H28ClN3O/c24-20-5-3-6-21(17-20)27-14-12-26(13-15-27)11-2-1-4-18-7-9-22-19(16-18)8-10-23(28)25-22/h3,5-7,9,16-17H,1-2,4,8,10-15H2,(H,25,28)
InChIKeyGXKHGUASZBXVLE-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 54568797
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864
N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640806
5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one
CID 15104522
N-(3-chlorophenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768484
4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid
CID 14423689
6-chloro-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899492
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one (CID 13084721) is 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N1.
What is the InChIKey of 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GXKHGUASZBXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c24-20-5-3-6-21(17-20)27-14-12-26(13-15-27)11-2-1-4-18-7-9-22-19(16-18)8-10-23(28)25-22/h3,5-7,9,16-17H,1-2,4,8,10-15H2,(H,25,28).
What are the key properties of 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 397.95 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13084721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).