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

C23H26ClN3O — CID 54568797

IUPAC6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C=CCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N1
InChIInChI=1S/C23H26ClN3O/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/h1,3-7,9,16-17H,2,8,10-15H2,(H,25,28)
InChIKeyZVTFCVNTJCOFHM-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.45
Rot. Bonds5

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

6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 54568797) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID54568797
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C=CCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N1
InChIInChI=1S/C23H26ClN3O/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/h1,3-7,9,16-17H,2,8,10-15H2,(H,25,28)
InChIKeyZVTFCVNTJCOFHM-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
CID 13084721
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one
CID 170498191
6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236323
6-(3-hydroxyprop-1-enyl)-3,4-dihydro-1H-quinolin-2-one
CID 169453981
N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640806
6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120862
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
6-chloro-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899492
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 110640841
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one (CID 54568797) is 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C=CCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N1.
What is the InChIKey of 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZVTFCVNTJCOFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/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/h1,3-7,9,16-17H,2,8,10-15H2,(H,25,28).
What are the key properties of 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 395.93 g/mol, XLogP of 4.45, 5 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]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 54568797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).