1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one

C24H30N2O3 — CID 86300993

IUPAC1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCOCC3)cc2N1Cc1ccccc1
InChIInChI=1S/C24H30N2O3/c27-24-11-9-21-8-10-22(29-15-5-4-12-25-13-16-28-17-14-25)18-23(21)26(24)19-20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17,19H2
InChIKeyZEXJHJZCCFTGQN-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.66
Rot. Bonds8

About 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one

1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one (PubChem CID 86300993) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
PubChem CID86300993
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCOCC3)cc2N1Cc1ccccc1
InChIInChI=1S/C24H30N2O3/c27-24-11-9-21-8-10-22(29-15-5-4-12-25-13-16-28-17-14-25)18-23(21)26(24)19-20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17,19H2
InChIKeyZEXJHJZCCFTGQN-UHFFFAOYSA-N
XLogP3.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one (CID 86300993) is 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one is O=C1CCc2ccc(OCCCCN3CCOCC3)cc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is ZEXJHJZCCFTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-24-11-9-21-8-10-22(29-15-5-4-12-25-13-16-28-17-14-25)18-23(21)26(24)19-20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17,19H2.
What are the key properties of 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one?
1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86300993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).