N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide

C23H22N4O4 — CID 135896838

IUPACN-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1
InChIInChI=1S/C23H22N4O4/c1-14-6-11-19-15(12-14)13-18(23(29)25-19)22-26-21(31-27-22)5-3-4-20(28)24-16-7-9-17(30-2)10-8-16/h6-13H,3-5H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyCOHLHWKRWJQEDK-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.86
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide

N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 135896838) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID135896838
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1
InChIInChI=1S/C23H22N4O4/c1-14-6-11-19-15(12-14)13-18(23(29)25-19)22-26-21(31-27-22)5-3-4-20(28)24-16-7-9-17(30-2)10-8-16/h6-13H,3-5H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyCOHLHWKRWJQEDK-UHFFFAOYSA-N
XLogP3.86
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896856
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
CID 135896861
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide
CID 135896850
3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970417
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-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
CID 135896811
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
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
N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46263739
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970455

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide (CID 135896838) is N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide is COc1ccc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is COHLHWKRWJQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14-6-11-19-15(12-14)13-18(23(29)25-19)22-26-21(31-27-22)5-3-4-20(28)24-16-7-9-17(30-2)10-8-16/h6-13H,3-5H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 418.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 135896838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).