5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole

C15H12ClF2N3O — CID 137434506

IUPAC5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCCc1cc2c(C)c(-c3nc(C)no3)c(Cl)nc2c(F)c1F
InChIInChI=1S/C15H12ClF2N3O/c1-4-8-5-9-6(2)10(15-19-7(3)21-22-15)14(16)20-13(9)12(18)11(8)17/h5H,4H2,1-3H3
InChIKeyFKZGMISMAMIATL-UHFFFAOYSA-N
MW323.73 g/mol
LogP4.40
Rot. Bonds2

About 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole

5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 137434506) has the molecular formula C15H12ClF2N3O and a molecular weight of 323.73 g/mol. Its IUPAC name is 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID137434506
Molecular FormulaC15H12ClF2N3O
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCCc1cc2c(C)c(-c3nc(C)no3)c(Cl)nc2c(F)c1F
InChIInChI=1S/C15H12ClF2N3O/c1-4-8-5-9-6(2)10(15-19-7(3)21-22-15)14(16)20-13(9)12(18)11(8)17/h5H,4H2,1-3H3
InChIKeyFKZGMISMAMIATL-UHFFFAOYSA-N
XLogP4.40
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 137434224
1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
CID 137434132
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
3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
CID 146811154
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
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55594677
5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole
CID 15595591
5-chloro-1-ethyl-2-fluoro-3-methylbenzene
CID 130776841
7-ethyl-9-fluoro-2-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 176905688
2,5-dichloro-3-ethyl-8-methylquinoline
CID 39346000
5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 170993654
2,5,7-trichloro-3-ethyl-6-fluoroquinoline
CID 107579425

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole (CID 137434506) is 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole is CCc1cc2c(C)c(-c3nc(C)no3)c(Cl)nc2c(F)c1F.
What is the InChIKey of 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is FKZGMISMAMIATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O/c1-4-8-5-9-6(2)10(15-19-7(3)21-22-15)14(16)20-13(9)12(18)11(8)17/h5H,4H2,1-3H3.
What are the key properties of 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole?
5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 323.73 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 137434506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).