1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one

C23H28N2O3 — CID 86301464

IUPAC1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCN3CCOCC3)ccc2N1Cc1ccccc1
InChIInChI=1S/C23H28N2O3/c26-23-10-7-20-17-21(28-14-4-11-24-12-15-27-16-13-24)8-9-22(20)25(23)18-19-5-2-1-3-6-19/h1-3,5-6,8-9,17H,4,7,10-16,18H2
InChIKeyQCDJPWSDUYKMND-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.27
Rot. Bonds7

About 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one

1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one (PubChem CID 86301464) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one
PubChem CID86301464
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCN3CCOCC3)ccc2N1Cc1ccccc1
InChIInChI=1S/C23H28N2O3/c26-23-10-7-20-17-21(28-14-4-11-24-12-15-27-16-13-24)8-9-22(20)25(23)18-19-5-2-1-3-6-19/h1-3,5-6,8-9,17H,4,7,10-16,18H2
InChIKeyQCDJPWSDUYKMND-UHFFFAOYSA-N
XLogP3.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one (CID 86301464) is 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(OCCCN3CCOCC3)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is QCDJPWSDUYKMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-23-10-7-20-17-21(28-14-4-11-24-12-15-27-16-13-24)8-9-22(20)25(23)18-19-5-2-1-3-6-19/h1-3,5-6,8-9,17H,4,7,10-16,18H2.
What are the key properties of 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one?
1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86301464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).