2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole

C19H14FN3O2 — CID 99962716

IUPAC2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole
SMILESCOc1cccc2cc(-c3nnc(-c4ccc(F)cc4)o3)c(C)nc12
InChIInChI=1S/C19H14FN3O2/c1-11-15(10-13-4-3-5-16(24-2)17(13)21-11)19-23-22-18(25-19)12-6-8-14(20)9-7-12/h3-10H,1-2H3
InChIKeyHFJCNGPTIRJBRA-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.41
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole (PubChem CID 99962716) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole
PubChem CID99962716
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole
SMILESCOc1cccc2cc(-c3nnc(-c4ccc(F)cc4)o3)c(C)nc12
InChIInChI=1S/C19H14FN3O2/c1-11-15(10-13-4-3-5-16(24-2)17(13)21-11)19-23-22-18(25-19)12-6-8-14(20)9-7-12/h3-10H,1-2H3
InChIKeyHFJCNGPTIRJBRA-UHFFFAOYSA-N
XLogP4.41
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole (CID 99962716) is 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole is COc1cccc2cc(-c3nnc(-c4ccc(F)cc4)o3)c(C)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole?
The InChIKey is HFJCNGPTIRJBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-11-15(10-13-4-3-5-16(24-2)17(13)21-11)19-23-22-18(25-19)12-6-8-14(20)9-7-12/h3-10H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole has a molecular weight of 335.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).