4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid

C16H15N3O4 — CID 135907619

IUPAC4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCc1cccc2cc(-c3noc(CCCC(=O)O)n3)c(=O)[nH]c12
InChIInChI=1S/C16H15N3O4/c1-9-4-2-5-10-8-11(16(22)18-14(9)10)15-17-12(23-19-15)6-3-7-13(20)21/h2,4-5,8H,3,6-7H2,1H3,(H,18,22)(H,20,21)
InChIKeyOCIFUGJGKMKMHK-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.29
Rot. Bonds5

About 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid

4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid (PubChem CID 135907619) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
PubChem CID135907619
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCc1cccc2cc(-c3noc(CCCC(=O)O)n3)c(=O)[nH]c12
InChIInChI=1S/C16H15N3O4/c1-9-4-2-5-10-8-11(16(22)18-14(9)10)15-17-12(23-19-15)6-3-7-13(20)21/h2,4-5,8H,3,6-7H2,1H3,(H,18,22)(H,20,21)
InChIKeyOCIFUGJGKMKMHK-UHFFFAOYSA-N
XLogP2.29
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 135970399
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one
CID 940950
3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 136748589
3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 135907614
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 107915268
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
N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970455
4-[3-[6-methyl-1-(2-methylpropyl)-2-oxo-3-pyridinyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 97058140
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 103083488
4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
CID 135896811
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
CID 135896861

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The IUPAC name of 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid (CID 135907619) is 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid.
What is the SMILES notation for 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The canonical SMILES for 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid is Cc1cccc2cc(-c3noc(CCCC(=O)O)n3)c(=O)[nH]c12.
What is the InChIKey of 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The InChIKey is OCIFUGJGKMKMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-4-2-5-10-8-11(16(22)18-14(9)10)15-17-12(23-19-15)6-3-7-13(20)21/h2,4-5,8H,3,6-7H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid?
4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid has a molecular weight of 313.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid is sourced from PubChem (CID 135907619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).