1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone

C15H15N3O4 — CID 110607338

IUPAC1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2CCc3cc4c(cc3C2)OCO4)no1
InChIInChI=1S/C15H15N3O4/c1-9-16-14(17-22-9)6-15(19)18-3-2-10-4-12-13(21-8-20-12)5-11(10)7-18/h4-5H,2-3,6-8H2,1H3
InChIKeyRGBFOGUOXYGOJX-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.23
Rot. Bonds2

About 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone

1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 110607338) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
PubChem CID110607338
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCc1nc(CC(=O)N2CCc3cc4c(cc3C2)OCO4)no1
InChIInChI=1S/C15H15N3O4/c1-9-16-14(17-22-9)6-15(19)18-3-2-10-4-12-13(21-8-20-12)5-11(10)7-18/h4-5H,2-3,6-8H2,1H3
InChIKeyRGBFOGUOXYGOJX-UHFFFAOYSA-N
XLogP1.23
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone with MolForge

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Related Compounds

1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3,3-dimethylbutan-1-one
CID 110409632
2-(4-methoxyphenyl)-1-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)ethanone
CID 110647096
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
CID 110661408
(E)-1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 110616132
1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-4-(2-fluorophenyl)butan-1-one
CID 110607358
1-(2-chlorophenyl)-4-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)butane-1,4-dione
CID 110607362
N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616139
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110608470
N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 42764930
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634505

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone (CID 110607338) is 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is Cc1nc(CC(=O)N2CCc3cc4c(cc3C2)OCO4)no1.
What is the InChIKey of 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is RGBFOGUOXYGOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-16-14(17-22-9)6-15(19)18-3-2-10-4-12-13(21-8-20-12)5-11(10)7-18/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone?
1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 301.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 110607338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).