5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole

C18H13N3O2 — CID 142400404

IUPAC5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc2cc(-c3nc(-c4ccccc4)no3)cnc2c1
InChIInChI=1S/C18H13N3O2/c1-22-15-8-7-13-9-14(11-19-16(13)10-15)18-20-17(21-23-18)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyQDVXNUZEIVXKQD-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.96
Rot. Bonds3

About 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole

5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 142400404) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID142400404
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc2cc(-c3nc(-c4ccccc4)no3)cnc2c1
InChIInChI=1S/C18H13N3O2/c1-22-15-8-7-13-9-14(11-19-16(13)10-15)18-20-17(21-23-18)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyQDVXNUZEIVXKQD-UHFFFAOYSA-N
XLogP3.96
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
3-bromo-7-methoxyquinoline
CID 18788548
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
N-(7-methoxyquinolin-3-yl)-4-phenylbenzamide
CID 95745146

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole (CID 142400404) is 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole is COc1ccc2cc(-c3nc(-c4ccccc4)no3)cnc2c1.
What is the InChIKey of 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is QDVXNUZEIVXKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-22-15-8-7-13-9-14(11-19-16(13)10-15)18-20-17(21-23-18)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole?
5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 303.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxyquinolin-3-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 142400404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).