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

C26H34N2O3 — CID 86301467

IUPAC1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCCCCN3CCOCC3)ccc2N1Cc1ccccc1
InChIInChI=1S/C26H34N2O3/c29-26-13-10-23-20-24(11-12-25(23)28(26)21-22-8-4-3-5-9-22)31-17-7-2-1-6-14-27-15-18-30-19-16-27/h3-5,8-9,11-12,20H,1-2,6-7,10,13-19,21H2
InChIKeyVSIXKVDXEWXXOC-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.44
Rot. Bonds10

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

1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one (PubChem CID 86301467) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one
PubChem CID86301467
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCCCCN3CCOCC3)ccc2N1Cc1ccccc1
InChIInChI=1S/C26H34N2O3/c29-26-13-10-23-20-24(11-12-25(23)28(26)21-22-8-4-3-5-9-22)31-17-7-2-1-6-14-27-15-18-30-19-16-27/h3-5,8-9,11-12,20H,1-2,6-7,10,13-19,21H2
InChIKeyVSIXKVDXEWXXOC-UHFFFAOYSA-N
XLogP4.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.44
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-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one (CID 86301467) is 1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(OCCCCCCN3CCOCC3)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is VSIXKVDXEWXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c29-26-13-10-23-20-24(11-12-25(23)28(26)21-22-8-4-3-5-9-22)31-17-7-2-1-6-14-27-15-18-30-19-16-27/h3-5,8-9,11-12,20H,1-2,6-7,10,13-19,21H2.
What are the key properties of 1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one?
1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 422.57 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86301467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).