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

C17H10BrN3O2 — CID 135636028

IUPAC3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
SMILESO=c1c(-c2nc(-c3cccc(Br)c3)no2)c[nH]c2ccccc12
InChIInChI=1S/C17H10BrN3O2/c18-11-5-3-4-10(8-11)16-20-17(23-21-16)13-9-19-14-7-2-1-6-12(14)15(13)22/h1-9H,(H,19,22)
InChIKeyPGEJEJFNSJWWRJ-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.01
Rot. Bonds2

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

3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one (PubChem CID 135636028) has the molecular formula C17H10BrN3O2 and a molecular weight of 368.19 g/mol. Its IUPAC name is 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
PubChem CID135636028
Molecular FormulaC17H10BrN3O2
Molecular Weight368.19 g/mol
Exact Mass367.00
IUPAC Name3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
SMILESO=c1c(-c2nc(-c3cccc(Br)c3)no2)c[nH]c2ccccc12
InChIInChI=1S/C17H10BrN3O2/c18-11-5-3-4-10(8-11)16-20-17(23-21-16)13-9-19-14-7-2-1-6-12(14)15(13)22/h1-9H,(H,19,22)
InChIKeyPGEJEJFNSJWWRJ-UHFFFAOYSA-N
XLogP4.01
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
CID 135636020
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one
CID 135636040
5-(1H-indol-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 136740783
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one
CID 142621956
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782415
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethoxyphenyl)isoquinolin-1-one
CID 53082073
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
2-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-5-methylbenzo[b][1,4]benzothiazepin-6-one
CID 53095415
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-chloroaniline
CID 61399103
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The IUPAC name of 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one (CID 135636028) is 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The canonical SMILES for 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one is O=c1c(-c2nc(-c3cccc(Br)c3)no2)c[nH]c2ccccc12.
What is the InChIKey of 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The InChIKey is PGEJEJFNSJWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2/c18-11-5-3-4-10(8-11)16-20-17(23-21-16)13-9-19-14-7-2-1-6-12(14)15(13)22/h1-9H,(H,19,22).
What are the key properties of 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one has a molecular weight of 368.19 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one is sourced from PubChem (CID 135636028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).