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

C20H17N3O5 — CID 156591265

IUPAC3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
SMILESCOc1cc(-c2noc(C3C=Nc4ccccc4C3=O)n2)cc(OC)c1OC
InChIInChI=1S/C20H17N3O5/c1-25-15-8-11(9-16(26-2)18(15)27-3)19-22-20(28-23-19)13-10-21-14-7-5-4-6-12(14)17(13)24/h4-10,13H,1-3H3
InChIKeyAQTOJZHXLRXHPW-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.44
Rot. Bonds5

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

3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one (PubChem CID 156591265) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one.

Molecular Properties

Compound Name3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
PubChem CID156591265
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
SMILESCOc1cc(-c2noc(C3C=Nc4ccccc4C3=O)n2)cc(OC)c1OC
InChIInChI=1S/C20H17N3O5/c1-25-15-8-11(9-16(26-2)18(15)27-3)19-22-20(28-23-19)13-10-21-14-7-5-4-6-12(14)17(13)24/h4-10,13H,1-3H3
InChIKeyAQTOJZHXLRXHPW-UHFFFAOYSA-N
XLogP3.44
TPSA96.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The IUPAC name of 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one (CID 156591265) is 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one.
What is the SMILES notation for 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The canonical SMILES for 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one is COc1cc(-c2noc(C3C=Nc4ccccc4C3=O)n2)cc(OC)c1OC.
What is the InChIKey of 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The InChIKey is AQTOJZHXLRXHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-25-15-8-11(9-16(26-2)18(15)27-3)19-22-20(28-23-19)13-10-21-14-7-5-4-6-12(14)17(13)24/h4-10,13H,1-3H3.
What are the key properties of 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one has a molecular weight of 379.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one is sourced from PubChem (CID 156591265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).