1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one

C24H30N2O2 — CID 90654937

IUPAC1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCCCC3)cc2N1Cc1ccccc1
InChIInChI=1S/C24H30N2O2/c27-24-13-11-21-10-12-22(28-17-7-16-25-14-5-2-6-15-25)18-23(21)26(24)19-20-8-3-1-4-9-20/h1,3-4,8-10,12,18H,2,5-7,11,13-17,19H2
InChIKeyBYSCMHOLDXGENA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.42
Rot. Bonds7

About 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one

1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one (PubChem CID 90654937) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
PubChem CID90654937
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCCCC3)cc2N1Cc1ccccc1
InChIInChI=1S/C24H30N2O2/c27-24-13-11-21-10-12-22(28-17-7-16-25-14-5-2-6-15-25)18-23(21)26(24)19-20-8-3-1-4-9-20/h1,3-4,8-10,12,18H,2,5-7,11,13-17,19H2
InChIKeyBYSCMHOLDXGENA-UHFFFAOYSA-N
XLogP4.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
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 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one (CID 90654937) is 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one is O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is BYSCMHOLDXGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24-13-11-21-10-12-22(28-17-7-16-25-14-5-2-6-15-25)18-23(21)26(24)19-20-8-3-1-4-9-20/h1,3-4,8-10,12,18H,2,5-7,11,13-17,19H2.
What are the key properties of 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one?
1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 90654937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).