8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one

C24H31N3O2 — CID 21243031

IUPAC8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCCCCCN3CCN(c4ccccc4)CC3)c2N1
InChIInChI=1S/C24H31N3O2/c28-23-13-12-20-8-7-11-22(24(20)25-23)29-19-6-2-5-14-26-15-17-27(18-16-26)21-9-3-1-4-10-21/h1,3-4,7-11H,2,5-6,12-19H2,(H,25,28)
InChIKeyZFHPJAWZADSEPA-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.94
Rot. Bonds8

About 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one

8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 21243031) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID21243031
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCCCCCN3CCN(c4ccccc4)CC3)c2N1
InChIInChI=1S/C24H31N3O2/c28-23-13-12-20-8-7-11-22(24(20)25-23)29-19-6-2-5-14-26-15-17-27(18-16-26)21-9-3-1-4-10-21/h1,3-4,7-11H,2,5-6,12-19H2,(H,25,28)
InChIKeyZFHPJAWZADSEPA-UHFFFAOYSA-N
XLogP3.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.94
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

7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073818
5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 24845907
8-bromo-5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 21242981
6-chloro-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899492
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 122694518
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778
7-[4-[4-(3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073663
5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899529
1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
CID 20532665
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 14014460
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
7-[4-[4-(2-oxo-1,3-dihydroinden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073630

Frequently Asked Questions

What is the IUPAC name of 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one (CID 21243031) is 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(OCCCCCN3CCN(c4ccccc4)CC3)c2N1.
What is the InChIKey of 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZFHPJAWZADSEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-23-13-12-20-8-7-11-22(24(20)25-23)29-19-6-2-5-14-26-15-17-27(18-16-26)21-9-3-1-4-10-21/h1,3-4,7-11H,2,5-6,12-19H2,(H,25,28).
What are the key properties of 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one?
8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 393.53 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 21243031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).