2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole

C23H14BrN3O — CID 3475235

IUPAC2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2cc(-c3nnc(-c4ccccc4)o3)c3ccccc3n2)cc1
InChIInChI=1S/C23H14BrN3O/c24-17-12-10-15(11-13-17)21-14-19(18-8-4-5-9-20(18)25-21)23-27-26-22(28-23)16-6-2-1-3-7-16/h1-14H
InChIKeyUAMHTNXKFQEWDC-UHFFFAOYSA-N
MW428.29 g/mol
LogP6.38
Rot. Bonds3

About 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole

2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 3475235) has the molecular formula C23H14BrN3O and a molecular weight of 428.29 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID3475235
Molecular FormulaC23H14BrN3O
Molecular Weight428.29 g/mol
Exact Mass427.03
IUPAC Name2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2cc(-c3nnc(-c4ccccc4)o3)c3ccccc3n2)cc1
InChIInChI=1S/C23H14BrN3O/c24-17-12-10-15(11-13-17)21-14-19(18-8-4-5-9-20(18)25-21)23-27-26-22(28-23)16-6-2-1-3-7-16/h1-14H
InChIKeyUAMHTNXKFQEWDC-UHFFFAOYSA-N
XLogP6.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.29
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole
CID 2526582
2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 687082
2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 6463631
4-[2-(2-phenylquinolin-4-yl)-1,3-oxazol-5-yl]phenol
CID 135549299
2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7189833
2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 154841410
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
CID 139593880
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole
CID 146548816
2-phenyl-9-[10-(2-phenylquinolin-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 3475235) is 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole is Brc1ccc(-c2cc(-c3nnc(-c4ccccc4)o3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UAMHTNXKFQEWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrN3O/c24-17-12-10-15(11-13-17)21-14-19(18-8-4-5-9-20(18)25-21)23-27-26-22(28-23)16-6-2-1-3-7-16/h1-14H.
What are the key properties of 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 428.29 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 3475235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).