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

C20H16BrN3O2 — CID 51364430

IUPAC3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
SMILESCCCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2ccccc21
InChIInChI=1S/C20H16BrN3O2/c1-2-11-24-12-16(18(25)15-5-3-4-6-17(15)24)20-22-19(23-26-20)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3
InChIKeyGMOUJNLVAMAQPR-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.89
Rot. Bonds4

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

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one (PubChem CID 51364430) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
PubChem CID51364430
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Name3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
SMILESCCCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2ccccc21
InChIInChI=1S/C20H16BrN3O2/c1-2-11-24-12-16(18(25)15-5-3-4-6-17(15)24)20-22-19(23-26-20)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3
InChIKeyGMOUJNLVAMAQPR-UHFFFAOYSA-N
XLogP4.89
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one?
The IUPAC name of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one (CID 51364430) is 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one.
What is the SMILES notation for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one?
The canonical SMILES for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one is CCCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2ccccc21.
What is the InChIKey of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one?
The InChIKey is GMOUJNLVAMAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c1-2-11-24-12-16(18(25)15-5-3-4-6-17(15)24)20-22-19(23-26-20)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3.
What are the key properties of 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one?
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one has a molecular weight of 410.27 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one is sourced from PubChem (CID 51364430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).