N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

C22H24N2O3 — CID 20862056

IUPACN-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCCc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-3-16-10-12-17(13-11-16)23-21(25)9-6-14-27-20-15-22(26)24(2)19-8-5-4-7-18(19)20/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3,(H,23,25)
InChIKeyIRHOLYQPTHMLMO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.90
Rot. Bonds7

About N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 20862056) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID20862056
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCCc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-3-16-10-12-17(13-11-16)23-21(25)9-6-14-27-20-15-22(26)24(2)19-8-5-4-7-18(19)20/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3,(H,23,25)
InChIKeyIRHOLYQPTHMLMO-UHFFFAOYSA-N
XLogP3.90
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide 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 N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 20862056) is N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is CCc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is IRHOLYQPTHMLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-16-10-12-17(13-11-16)23-21(25)9-6-14-27-20-15-22(26)24(2)19-8-5-4-7-18(19)20/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide has a molecular weight of 364.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 20862056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).