N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

C23H22N4O3 — CID 135970399

IUPACN-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCN(C(=O)CCc1nc(-c2cc3cccc(C)c3[nH]c2=O)no1)c1ccccc1
InChIInChI=1S/C23H22N4O3/c1-3-27(17-10-5-4-6-11-17)20(28)13-12-19-24-22(26-30-19)18-14-16-9-7-8-15(2)21(16)25-23(18)29/h4-11,14H,3,12-13H2,1-2H3,(H,25,29)
InChIKeyMMIRVTZPIFJZSL-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.87
Rot. Bonds6

About N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (PubChem CID 135970399) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
PubChem CID135970399
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCN(C(=O)CCc1nc(-c2cc3cccc(C)c3[nH]c2=O)no1)c1ccccc1
InChIInChI=1S/C23H22N4O3/c1-3-27(17-10-5-4-6-11-17)20(28)13-12-19-24-22(26-30-19)18-14-16-9-7-8-15(2)21(16)25-23(18)29/h4-11,14H,3,12-13H2,1-2H3,(H,25,29)
InChIKeyMMIRVTZPIFJZSL-UHFFFAOYSA-N
XLogP3.87
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide with MolForge

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Related Compounds

4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 135907619
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one
CID 940950
N-ethyl-3-[3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 53063515
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970455
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970460
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylfuran-2-carboxamide
CID 1382192
3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 136748589
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The IUPAC name of N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (CID 135970399) is N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is CCN(C(=O)CCc1nc(-c2cc3cccc(C)c3[nH]c2=O)no1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The InChIKey is MMIRVTZPIFJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-3-27(17-10-5-4-6-11-17)20(28)13-12-19-24-22(26-30-19)18-14-16-9-7-8-15(2)21(16)25-23(18)29/h4-11,14H,3,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide has a molecular weight of 402.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 135970399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).