N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide

C17H18N4O3 — CID 46969091

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1nc(CNC(=O)CCn2c(=O)cc(C)c3ccccc32)no1
InChIInChI=1S/C17H18N4O3/c1-11-9-17(23)21(14-6-4-3-5-13(11)14)8-7-16(22)18-10-15-19-12(2)24-20-15/h3-6,9H,7-8,10H2,1-2H3,(H,18,22)
InChIKeyHRRODZUYYPWVFT-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.71
Rot. Bonds5

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 46969091) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID46969091
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1nc(CNC(=O)CCn2c(=O)cc(C)c3ccccc32)no1
InChIInChI=1S/C17H18N4O3/c1-11-9-17(23)21(14-6-4-3-5-13(11)14)8-7-16(22)18-10-15-19-12(2)24-20-15/h3-6,9H,7-8,10H2,1-2H3,(H,18,22)
InChIKeyHRRODZUYYPWVFT-UHFFFAOYSA-N
XLogP1.71
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide with MolForge

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Related Compounds

3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
4-methyl-1-(3-oxobutyl)quinolin-2-one
CID 919960
N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763926
N-(2,6-diethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763943
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
N-(2,5-dichlorophenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763973
N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39764289
3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91765392
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
N-(2,4-dimethoxyphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763982
3-(2-methylindol-1-yl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 46992621
methyl 2-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide (CID 46969091) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide is Cc1nc(CNC(=O)CCn2c(=O)cc(C)c3ccccc32)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is HRRODZUYYPWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-9-17(23)21(14-6-4-3-5-13(11)14)8-7-16(22)18-10-15-19-12(2)24-20-15/h3-6,9H,7-8,10H2,1-2H3,(H,18,22).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 46969091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).