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

C13H16N2O3 — CID 67491052

IUPAC1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
SMILESCC(=O)N1c2cc3c(cc2C(N)CC1C)OCO3
InChIInChI=1S/C13H16N2O3/c1-7-3-10(14)9-4-12-13(18-6-17-12)5-11(9)15(7)8(2)16/h4-5,7,10H,3,6,14H2,1-2H3
InChIKeyYYLRSKSBHZRBBM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.56
Rot. Bonds

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

1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone (PubChem CID 67491052) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone.

Molecular Properties

Compound Name1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
PubChem CID67491052
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
SMILESCC(=O)N1c2cc3c(cc2C(N)CC1C)OCO3
InChIInChI=1S/C13H16N2O3/c1-7-3-10(14)9-4-12-13(18-6-17-12)5-11(9)15(7)8(2)16/h4-5,7,10H,3,6,14H2,1-2H3
InChIKeyYYLRSKSBHZRBBM-UHFFFAOYSA-N
XLogP1.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone?
The IUPAC name of 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone (CID 67491052) is 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone.
What is the SMILES notation for 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone?
The canonical SMILES for 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone is CC(=O)N1c2cc3c(cc2C(N)CC1C)OCO3.
What is the InChIKey of 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone?
The InChIKey is YYLRSKSBHZRBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-3-10(14)9-4-12-13(18-6-17-12)5-11(9)15(7)8(2)16/h4-5,7,10H,3,6,14H2,1-2H3.
What are the key properties of 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone?
1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone has a molecular weight of 248.28 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone is sourced from PubChem (CID 67491052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).