7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one

C13H13N3O3 — CID 141027507

IUPAC7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(C3(C)N=NCO3)[nH]c2c1
InChIInChI=1S/C13H13N3O3/c1-13(16-14-7-19-13)12-6-11(17)9-4-3-8(18-2)5-10(9)15-12/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyIWWRLNMAQOBCNY-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.15
Rot. Bonds2

About 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one

7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one (PubChem CID 141027507) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one
PubChem CID141027507
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(C3(C)N=NCO3)[nH]c2c1
InChIInChI=1S/C13H13N3O3/c1-13(16-14-7-19-13)12-6-11(17)9-4-3-8(18-2)5-10(9)15-12/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyIWWRLNMAQOBCNY-UHFFFAOYSA-N
XLogP2.15
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-acetyl-7-methoxy-1H-quinolin-4-one
CID 59108287
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
7-methoxy-2-(6-methyl-2-pyridinyl)-1H-quinolin-4-one
CID 23003026
2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane
CID 142258421
3-methoxy-5H-phenanthridin-6-one
CID 12706603
CID 87689938
CID 87689938
cyclohexane;methanethiol;7-methoxy-1H-quinolin-4-one
CID 157041036
7-methoxy-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462438
7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one
CID 68723516
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one (CID 141027507) is 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one is COc1ccc2c(=O)cc(C3(C)N=NCO3)[nH]c2c1.
What is the InChIKey of 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one?
The InChIKey is IWWRLNMAQOBCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-13(16-14-7-19-13)12-6-11(17)9-4-3-8(18-2)5-10(9)15-12/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one?
7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one has a molecular weight of 259.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one is sourced from PubChem (CID 141027507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).