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

C18H15N5O2 — CID 99962923

IUPAC2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCOc1cccc2cc(-c3nnc(-c4cnc(C)nc4)o3)c(C)nc12
InChIInChI=1S/C18H15N5O2/c1-10-14(7-12-5-4-6-15(24-3)16(12)21-10)18-23-22-17(25-18)13-8-19-11(2)20-9-13/h4-9H,1-3H3
InChIKeyBIMILDOIJCGTBS-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.37
Rot. Bonds3

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

2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 99962923) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID99962923
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCOc1cccc2cc(-c3nnc(-c4cnc(C)nc4)o3)c(C)nc12
InChIInChI=1S/C18H15N5O2/c1-10-14(7-12-5-4-6-15(24-3)16(12)21-10)18-23-22-17(25-18)13-8-19-11(2)20-9-13/h4-9H,1-3H3
InChIKeyBIMILDOIJCGTBS-UHFFFAOYSA-N
XLogP3.37
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole
CID 99962716
2-(2,4-dimethylpyrimidin-5-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 99962847
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720
3-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 21239652
2-(2-methylpyrimidin-5-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 99962892
2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 142771787
8-methoxyquinolin-3-amine;dihydrochloride
CID 53396928
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 1119347
2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962904
5-methoxyacridin-4-amine
CID 11053298

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 99962923) is 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole is COc1cccc2cc(-c3nnc(-c4cnc(C)nc4)o3)c(C)nc12.
What is the InChIKey of 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is BIMILDOIJCGTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-10-14(7-12-5-4-6-15(24-3)16(12)21-10)18-23-22-17(25-18)13-8-19-11(2)20-9-13/h4-9H,1-3H3.
What are the key properties of 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-2-methylquinolin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).