5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole

C14H8ClF4N3O — CID 137434224

IUPAC5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2c(Cl)nc3c(F)cc(C(F)(F)F)cc3c2C)n1
InChIInChI=1S/C14H8ClF4N3O/c1-5-8-3-7(14(17,18)19)4-9(16)11(8)21-12(15)10(5)13-20-6(2)22-23-13/h3-4H,1-2H3
InChIKeyPDOJZOGPATVHNV-UHFFFAOYSA-N
MW345.68 g/mol
LogP4.71
Rot. Bonds1

About 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 137434224) has the molecular formula C14H8ClF4N3O and a molecular weight of 345.68 g/mol. Its IUPAC name is 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID137434224
Molecular FormulaC14H8ClF4N3O
Molecular Weight345.68 g/mol
Exact Mass345.03
IUPAC Name5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2c(Cl)nc3c(F)cc(C(F)(F)F)cc3c2C)n1
InChIInChI=1S/C14H8ClF4N3O/c1-5-8-3-7(14(17,18)19)4-9(16)11(8)21-12(15)10(5)13-20-6(2)22-23-13/h3-4H,1-2H3
InChIKeyPDOJZOGPATVHNV-UHFFFAOYSA-N
XLogP4.71
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 137434506
1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one
CID 137434486
3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
CID 146811154
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline
CID 165071752
1-[6-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
CID 135329075
1-[6-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-3-yl)piperidin-4-amine
CID 135329064
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine
CID 142491959
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 135329117
5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole
CID 15595591
ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
CID 176715514
ethane;5-[8-fluoro-6-methoxy-4-methyl-2-[(2R)-2-methylpiperidin-1-yl]quinolin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 142432325

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 137434224) is 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2c(Cl)nc3c(F)cc(C(F)(F)F)cc3c2C)n1.
What is the InChIKey of 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is PDOJZOGPATVHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N3O/c1-5-8-3-7(14(17,18)19)4-9(16)11(8)21-12(15)10(5)13-20-6(2)22-23-13/h3-4H,1-2H3.
What are the key properties of 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 345.68 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 137434224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).