2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide

C15H18N2O3 — CID 7348509

IUPAC2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide
SMILESCC1(C)Cc2cc3c(cc2C(CC(N)=O)=N1)OCCO3
InChIInChI=1S/C15H18N2O3/c1-15(2)8-9-5-12-13(20-4-3-19-12)6-10(9)11(17-15)7-14(16)18/h5-6H,3-4,7-8H2,1-2H3,(H2,16,18)
InChIKeyNFSYKADYVLFODK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.46
Rot. Bonds2

About 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide

2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide (PubChem CID 7348509) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide
PubChem CID7348509
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide
SMILESCC1(C)Cc2cc3c(cc2C(CC(N)=O)=N1)OCCO3
InChIInChI=1S/C15H18N2O3/c1-15(2)8-9-5-12-13(20-4-3-19-12)6-10(9)11(17-15)7-14(16)18/h5-6H,3-4,7-8H2,1-2H3,(H2,16,18)
InChIKeyNFSYKADYVLFODK-UHFFFAOYSA-N
XLogP1.46
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide?
The IUPAC name of 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide (CID 7348509) is 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide?
The canonical SMILES for 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide is CC1(C)Cc2cc3c(cc2C(CC(N)=O)=N1)OCCO3.
What is the InChIKey of 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide?
The InChIKey is NFSYKADYVLFODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)8-9-5-12-13(20-4-3-19-12)6-10(9)11(17-15)7-14(16)18/h5-6H,3-4,7-8H2,1-2H3,(H2,16,18).
What are the key properties of 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide?
2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide is sourced from PubChem (CID 7348509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).