7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

C23H28ClN3O2 — CID 10549689

IUPAC7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc2N1
InChIInChI=1S/C23H28ClN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28)
InChIKeyYZWZYPOWFMWSAH-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.21
Rot. Bonds7

About 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10549689) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10549689
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc2N1
InChIInChI=1S/C23H28ClN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28)
InChIKeyYZWZYPOWFMWSAH-UHFFFAOYSA-N
XLogP4.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Aripiprazole
CID 60795
Aripiprazole Lauroxil
CID 49831411
Dehydroaripiprazole
CID 10114519
Opc-14523
CID 9892540
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Unc0006
CID 56597938
7-(4-(4-(2,3-Dichloro-4-hydroxy-phenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1H-quinolin-2-one
CID 9847259
Tetra-hydro-isoquinoline derivative 3
CID 137653313
7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10502413
7-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
CID 10692886
Tetra-hydro-isoquinoline derivative 2
CID 46829772
Tetra-hydro-isoquinoline derivative 4
CID 137652717

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 10549689) is 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc2N1.
What is the InChIKey of 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YZWZYPOWFMWSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28).
What are the key properties of 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 413.95 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10549689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).