4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide

C20H24N4O3 — CID 135896811

IUPAC4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
SMILESCc1ccc2cc(-c3noc(CCCC(=O)NCC(C)C)n3)c(=O)[nH]c2c1
InChIInChI=1S/C20H24N4O3/c1-12(2)11-21-17(25)5-4-6-18-23-19(24-27-18)15-10-14-8-7-13(3)9-16(14)22-20(15)26/h7-10,12H,4-6,11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyLZXSQBVPSWZOAF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.98
Rot. Bonds7

About 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide

4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide (PubChem CID 135896811) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
PubChem CID135896811
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
SMILESCc1ccc2cc(-c3noc(CCCC(=O)NCC(C)C)n3)c(=O)[nH]c2c1
InChIInChI=1S/C20H24N4O3/c1-12(2)11-21-17(25)5-4-6-18-23-19(24-27-18)15-10-14-8-7-13(3)9-16(14)22-20(15)26/h7-10,12H,4-6,11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyLZXSQBVPSWZOAF-UHFFFAOYSA-N
XLogP2.98
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 136825358
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 136823232
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 135970389
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 136777354
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide
CID 135896850
N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896856
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 136823230
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970382
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
CID 135896861
N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896838
3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970417
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide (CID 135896811) is 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide is Cc1ccc2cc(-c3noc(CCCC(=O)NCC(C)C)n3)c(=O)[nH]c2c1.
What is the InChIKey of 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide?
The InChIKey is LZXSQBVPSWZOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)11-21-17(25)5-4-6-18-23-19(24-27-18)15-10-14-8-7-13(3)9-16(14)22-20(15)26/h7-10,12H,4-6,11H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide?
4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide has a molecular weight of 368.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 135896811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).