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

C23H28N2O2 — CID 90654941

IUPAC1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCCC3)cc2N1Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c26-23-12-10-20-9-11-21(27-16-6-15-24-13-4-5-14-24)17-22(20)25(23)18-19-7-2-1-3-8-19/h1-3,7-9,11,17H,4-6,10,12-16,18H2
InChIKeyVTLUSCYTYDSNFN-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.03
Rot. Bonds7

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

1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one (PubChem CID 90654941) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
PubChem CID90654941
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCCC3)cc2N1Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c26-23-12-10-20-9-11-21(27-16-6-15-24-13-4-5-14-24)17-22(20)25(23)18-19-7-2-1-3-8-19/h1-3,7-9,11,17H,4-6,10,12-16,18H2
InChIKeyVTLUSCYTYDSNFN-UHFFFAOYSA-N
XLogP4.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.03
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-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one (CID 90654941) is 1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one is O=C1CCc2ccc(OCCCN3CCCC3)cc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is VTLUSCYTYDSNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23-12-10-20-9-11-21(27-16-6-15-24-13-4-5-14-24)17-22(20)25(23)18-19-7-2-1-3-8-19/h1-3,7-9,11,17H,4-6,10,12-16,18H2.
What are the key properties of 1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one?
1-benzyl-7-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 364.49 g/mol, XLogP of 4.03, 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-pyrrolidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 90654941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).