7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one

C17H24N2O2 — CID 23454034

IUPAC7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCCCC3)cc2N1
InChIInChI=1S/C17H24N2O2/c20-17-8-6-14-5-7-15(13-16(14)18-17)21-12-4-11-19-9-2-1-3-10-19/h5,7,13H,1-4,6,8-12H2,(H,18,20)
InChIKeyNAQINJPIEGPLKW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.83
Rot. Bonds5

About 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one

7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 23454034) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID23454034
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCCCC3)cc2N1
InChIInChI=1S/C17H24N2O2/c20-17-8-6-14-5-7-15(13-16(14)18-17)21-12-4-11-19-9-2-1-3-10-19/h5,7,13H,1-4,6,8-12H2,(H,18,20)
InChIKeyNAQINJPIEGPLKW-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 23454034) is 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1.
What is the InChIKey of 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NAQINJPIEGPLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17-8-6-14-5-7-15(13-16(14)18-17)21-12-4-11-19-9-2-1-3-10-19/h5,7,13H,1-4,6,8-12H2,(H,18,20).
What are the key properties of 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 23454034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).