methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate

C20H15N3O5 — CID 139920135

IUPACmethyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c2cc(Oc3cccc(-c4noc(C)n4)c3)ccc12
InChIInChI=1S/C20H15N3O5/c1-11-21-19(23-28-11)12-4-3-5-13(8-12)27-14-6-7-15-16(20(25)26-2)10-18(24)22-17(15)9-14/h3-10H,1-2H3,(H,22,24)
InChIKeyQYSJLMMPNQEIIY-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.47
Rot. Bonds4

About methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate

methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 139920135) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate
PubChem CID139920135
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Namemethyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c2cc(Oc3cccc(-c4noc(C)n4)c3)ccc12
InChIInChI=1S/C20H15N3O5/c1-11-21-19(23-28-11)12-4-3-5-13(8-12)27-14-6-7-15-16(20(25)26-2)10-18(24)22-17(15)9-14/h3-10H,1-2H3,(H,22,24)
InChIKeyQYSJLMMPNQEIIY-UHFFFAOYSA-N
XLogP3.47
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

5-methyl-3-[3-(4-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 15429346
5-methyl-3-[3-(4-methyl-3-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 70086748
methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate
CID 59398050
5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole
CID 176625799
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
methyl 8-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxylate
CID 58553629
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
CID 69174143
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55729286
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 8860099

Frequently Asked Questions

What is the IUPAC name of methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate (CID 139920135) is methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate is COC(=O)c1cc(=O)[nH]c2cc(Oc3cccc(-c4noc(C)n4)c3)ccc12.
What is the InChIKey of methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is QYSJLMMPNQEIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-11-21-19(23-28-11)12-4-3-5-13(8-12)27-14-6-7-15-16(20(25)26-2)10-18(24)22-17(15)9-14/h3-10H,1-2H3,(H,22,24).
What are the key properties of methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate?
methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 377.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 139920135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).