1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one

C25H32N2O3 — CID 86301466

IUPAC1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCCCN3CCOCC3)ccc2N1Cc1ccccc1
InChIInChI=1S/C25H32N2O3/c28-25-12-9-22-19-23(30-16-6-2-5-13-26-14-17-29-18-15-26)10-11-24(22)27(25)20-21-7-3-1-4-8-21/h1,3-4,7-8,10-11,19H,2,5-6,9,12-18,20H2
InChIKeyQNBGWPXFHUBCJV-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.05
Rot. Bonds9

About 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one

1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one (PubChem CID 86301466) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one
PubChem CID86301466
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCCCN3CCOCC3)ccc2N1Cc1ccccc1
InChIInChI=1S/C25H32N2O3/c28-25-12-9-22-19-23(30-16-6-2-5-13-26-14-17-29-18-15-26)10-11-24(22)27(25)20-21-7-3-1-4-8-21/h1,3-4,7-8,10-11,19H,2,5-6,9,12-18,20H2
InChIKeyQNBGWPXFHUBCJV-UHFFFAOYSA-N
XLogP4.05
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.05
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-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one (CID 86301466) is 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(OCCCCCN3CCOCC3)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is QNBGWPXFHUBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c28-25-12-9-22-19-23(30-16-6-2-5-13-26-14-17-29-18-15-26)10-11-24(22)27(25)20-21-7-3-1-4-8-21/h1,3-4,7-8,10-11,19H,2,5-6,9,12-18,20H2.
What are the key properties of 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one?
1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 408.54 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86301466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).