5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

C12H13NO2 — CID 10954648

IUPAC5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCCC1=NCCc2cc3c(cc21)OCO3
InChIInChI=1S/C12H13NO2/c1-2-10-9-6-12-11(14-7-15-12)5-8(9)3-4-13-10/h5-6H,2-4,7H2,1H3
InChIKeyWPVXRORROLQZEX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.17
Rot. Bonds1

About 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 10954648) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID10954648
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCCC1=NCCc2cc3c(cc21)OCO3
InChIInChI=1S/C12H13NO2/c1-2-10-9-6-12-11(14-7-15-12)5-8(9)3-4-13-10/h5-6H,2-4,7H2,1H3
InChIKeyWPVXRORROLQZEX-UHFFFAOYSA-N
XLogP2.17
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(5-methylfuran-2-yl)ethanone
CID 7679266
2-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-4-ylethanone
CID 7097255
ethyl 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxylate
CID 46197385
1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;methanesulfonic acid
CID 71321713
5-(2,4-difluorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 73212263
5-[2-(4-fluorophenyl)ethenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 159763454
7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 12557876
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
5-[3,5-dimethoxy-4-(3-methylbut-1-enoxy)phenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 141117695
methyl 5-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-oxocyclohexane-1-carboxylate
CID 10404296
5,6-diethyl-2,3-dihydropyrazine
CID 12558419
(2-bromo-3,4-dimethoxyphenyl)-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanone
CID 10740711

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline (CID 10954648) is 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is CCC1=NCCc2cc3c(cc21)OCO3.
What is the InChIKey of 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is WPVXRORROLQZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-10-9-6-12-11(14-7-15-12)5-8(9)3-4-13-10/h5-6H,2-4,7H2,1H3.
What are the key properties of 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 203.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 10954648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).