3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one

C19H15N3O3 — CID 135636059

IUPAC3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
SMILESCCOc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1
InChIInChI=1S/C19H15N3O3/c1-2-24-13-9-7-12(8-10-13)18-21-19(25-22-18)15-11-20-16-6-4-3-5-14(16)17(15)23/h3-11H,2H2,1H3,(H,20,23)
InChIKeyYVUKQDSGOWVUII-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.64
Rot. Bonds4

About 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one (PubChem CID 135636059) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
PubChem CID135636059
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
SMILESCCOc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1
InChIInChI=1S/C19H15N3O3/c1-2-24-13-9-7-12(8-10-13)18-21-19(25-22-18)15-11-20-16-6-4-3-5-14(16)17(15)23/h3-11H,2H2,1H3,(H,20,23)
InChIKeyYVUKQDSGOWVUII-UHFFFAOYSA-N
XLogP3.64
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one (CID 135636059) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one is CCOc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The InChIKey is YVUKQDSGOWVUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-2-24-13-9-7-12(8-10-13)18-21-19(25-22-18)15-11-20-16-6-4-3-5-14(16)17(15)23/h3-11H,2H2,1H3,(H,20,23).
What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one has a molecular weight of 333.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one is sourced from PubChem (CID 135636059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).