5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole

C12H7Cl2N3O — CID 15595591

IUPAC5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2c(Cl)ccc3cc(Cl)cnc23)n1
InChIInChI=1S/C12H7Cl2N3O/c1-6-16-12(18-17-6)10-9(14)3-2-7-4-8(13)5-15-11(7)10/h2-5H,1H3
InChIKeyBZIDVFGSMAZCRE-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.90
Rot. Bonds1

About 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole

5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 15595591) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID15595591
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2c(Cl)ccc3cc(Cl)cnc23)n1
InChIInChI=1S/C12H7Cl2N3O/c1-6-16-12(18-17-6)10-9(14)3-2-7-4-8(13)5-15-11(7)10/h2-5H,1H3
InChIKeyBZIDVFGSMAZCRE-UHFFFAOYSA-N
XLogP3.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dichloro-8-[(4-methylphenoxy)methyl]quinoline
CID 13090799
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 170993654
3,7-dichloroquinoline-8-carbonyl chloride
CID 13090840
3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
CID 146811154
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
CID 70394889
(3,7-dichloroquinolin-8-yl) hydrogen carbonate
CID 23205730
6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one
CID 59927631
3-chloro-2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79783075
3,7-dichloro-N-ethoxyquinoline-8-carboxamide
CID 15595572

Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole (CID 15595591) is 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2c(Cl)ccc3cc(Cl)cnc23)n1.
What is the InChIKey of 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is BZIDVFGSMAZCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c1-6-16-12(18-17-6)10-9(14)3-2-7-4-8(13)5-15-11(7)10/h2-5H,1H3.
What are the key properties of 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole?
5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 280.11 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 15595591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).