2,5-di(quinolin-4-yl)-1,3,4-oxadiazole

C20H12N4O — CID 143438590

IUPAC2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(-c3nnc(-c4ccnc5ccccc45)o3)ccnc2c1
InChIInChI=1S/C20H12N4O/c1-3-7-17-13(5-1)15(9-11-21-17)19-23-24-20(25-19)16-10-12-22-18-8-4-2-6-14(16)18/h1-12H
InChIKeyCVPHVUUNGCCLII-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.50
Rot. Bonds2

About 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole

2,5-di(quinolin-4-yl)-1,3,4-oxadiazole (PubChem CID 143438590) has the molecular formula C20H12N4O and a molecular weight of 324.34 g/mol. Its IUPAC name is 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
PubChem CID143438590
Molecular FormulaC20H12N4O
Molecular Weight324.34 g/mol
Exact Mass324.10
IUPAC Name2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(-c3nnc(-c4ccnc5ccccc45)o3)ccnc2c1
InChIInChI=1S/C20H12N4O/c1-3-7-17-13(5-1)15(9-11-21-17)19-23-24-20(25-19)16-10-12-22-18-8-4-2-6-14(16)18/h1-12H
InChIKeyCVPHVUUNGCCLII-UHFFFAOYSA-N
XLogP4.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960787
2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole
CID 177007625
4-pyrimidin-2-ylquinoline
CID 123157198
2-(chloromethyl)-5-quinolin-5-yl-1,3,4-oxadiazole
CID 62849537
(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102660418
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
cyclopenta[d][1]benzazepine
CID 90914140
N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62875418
2-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62876224
3-hydroxy-2-quinolin-4-ylinden-1-one
CID 3135549
(2-quinolin-4-ylphenyl)methanamine
CID 150465725
4-naphthalen-2-ylquinoline
CID 14173372

Frequently Asked Questions

What is the IUPAC name of 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole (CID 143438590) is 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole is c1ccc2c(-c3nnc(-c4ccnc5ccccc45)o3)ccnc2c1.
What is the InChIKey of 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole?
The InChIKey is CVPHVUUNGCCLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O/c1-3-7-17-13(5-1)15(9-11-21-17)19-23-24-20(25-19)16-10-12-22-18-8-4-2-6-14(16)18/h1-12H.
What are the key properties of 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole?
2,5-di(quinolin-4-yl)-1,3,4-oxadiazole has a molecular weight of 324.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(quinolin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 143438590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).