6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one

C16H23N3O2 — CID 13054218

IUPAC6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCN3CCNCC3)ccc2N1
InChIInChI=1S/C16H23N3O2/c20-16-5-2-13-12-14(3-4-15(13)18-16)21-11-1-8-19-9-6-17-7-10-19/h3-4,12,17H,1-2,5-11H2,(H,18,20)
InChIKeyPFNKBBJKVHOPFI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.25
Rot. Bonds5

About 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one

6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13054218) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID13054218
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCN3CCNCC3)ccc2N1
InChIInChI=1S/C16H23N3O2/c20-16-5-2-13-12-14(3-4-15(13)18-16)21-11-1-8-19-9-6-17-7-10-19/h3-4,12,17H,1-2,5-11H2,(H,18,20)
InChIKeyPFNKBBJKVHOPFI-UHFFFAOYSA-N
XLogP1.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-oxo-5-piperazin-1-ylpentoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70505703
6-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14289489
6-[4-(1,4-diazepan-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119416167
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369783
6-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55595558
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119391883
6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one;6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 159964870
6-[4-[4-(quinolin-2-ylmethyl)piperidin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 16738316
1,4-dichlorobenzene;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753256

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 13054218) is 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCCN3CCNCC3)ccc2N1.
What is the InChIKey of 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PFNKBBJKVHOPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16-5-2-13-12-14(3-4-15(13)18-16)21-11-1-8-19-9-6-17-7-10-19/h3-4,12,17H,1-2,5-11H2,(H,18,20).
What are the key properties of 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one?
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13054218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).