3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

C16H15N3O4 — CID 135907614

IUPAC3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCc1cc(C)c2cc(-c3noc(CCC(=O)O)n3)c(=O)[nH]c2c1
InChIInChI=1S/C16H15N3O4/c1-8-5-9(2)10-7-11(16(22)17-12(10)6-8)15-18-13(23-19-15)3-4-14(20)21/h5-7H,3-4H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyXPJYGWBDWBJXQD-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.21
Rot. Bonds4

About 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 135907614) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID135907614
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCc1cc(C)c2cc(-c3noc(CCC(=O)O)n3)c(=O)[nH]c2c1
InChIInChI=1S/C16H15N3O4/c1-8-5-9(2)10-7-11(16(22)17-12(10)6-8)15-18-13(23-19-15)3-4-14(20)21/h5-7H,3-4H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyXPJYGWBDWBJXQD-UHFFFAOYSA-N
XLogP2.21
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid with MolForge

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Related Compounds

3-[3-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 136748589
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 135970389
4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 135907619
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 103083488
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-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 136823230
3-[3-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779409
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-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
CID 135896811
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970382
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 135907614) is 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is Cc1cc(C)c2cc(-c3noc(CCC(=O)O)n3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is XPJYGWBDWBJXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-8-5-9(2)10-7-11(16(22)17-12(10)6-8)15-18-13(23-19-15)3-4-14(20)21/h5-7H,3-4H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 313.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 135907614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).