5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one

C10H7N3O2 — CID 2785867

IUPAC5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one
SMILESCn1c(=O)c2nonc2c2ccccc21
InChIInChI=1S/C10H7N3O2/c1-13-7-5-3-2-4-6(7)8-9(10(13)14)12-15-11-8/h2-5H,1H3
InChIKeyWGUJQOGSLBIANF-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.07
Rot. Bonds

About 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one

5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one (PubChem CID 2785867) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one
PubChem CID2785867
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one
SMILESCn1c(=O)c2nonc2c2ccccc21
InChIInChI=1S/C10H7N3O2/c1-13-7-5-3-2-4-6(7)8-9(10(13)14)12-15-11-8/h2-5H,1H3
InChIKeyWGUJQOGSLBIANF-UHFFFAOYSA-N
XLogP1.07
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 2786817
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 2750999
1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone
CID 71357535
2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 3514283
5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 3237789
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
5-methyl-8,9,10,11-tetrahydroquinolino[3,2-c]quinolin-6-one
CID 176916123
5-methyl-2-(1-methyl-2-oxoquinolin-4-yl)pyrazolo[4,3-c]quinolin-4-one
CID 10570239
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
1,3-dimethyl-2-selanylidenequinazolin-4-one
CID 102491232
ethane;bis(9-methylcarbazole)
CID 159710949

Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one?
The IUPAC name of 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one (CID 2785867) is 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one is Cn1c(=O)c2nonc2c2ccccc21.
What is the InChIKey of 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one?
The InChIKey is WGUJQOGSLBIANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c1-13-7-5-3-2-4-6(7)8-9(10(13)14)12-15-11-8/h2-5H,1H3.
What are the key properties of 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one?
5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one has a molecular weight of 201.19 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 2785867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).