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

C22H24N2O3 — CID 6622317

IUPACN-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCCc1ccccc1NC(=O)CCCOc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C22H24N2O3/c1-3-16-9-4-6-11-18(16)23-21(25)13-8-14-27-20-15-22(26)24(2)19-12-7-5-10-17(19)20/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,23,25)
InChIKeyBVTCFYPRXBZNQV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.90
Rot. Bonds7

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

N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 6622317) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID6622317
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCCc1ccccc1NC(=O)CCCOc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C22H24N2O3/c1-3-16-9-4-6-11-18(16)23-21(25)13-8-14-27-20-15-22(26)24(2)19-12-7-5-10-17(19)20/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,23,25)
InChIKeyBVTCFYPRXBZNQV-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 6622317) is N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is CCc1ccccc1NC(=O)CCCOc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is BVTCFYPRXBZNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-16-9-4-6-11-18(16)23-21(25)13-8-14-27-20-15-22(26)24(2)19-12-7-5-10-17(19)20/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-(2-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-(2-ethylphenyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 6622317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).