2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol

C14H16N2O3 — CID 106541393

IUPAC2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
SMILESCCN(CCO)c1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C14H16N2O3/c1-2-16(5-6-17)14-11-8-13-12(18-9-19-13)7-10(11)3-4-15-14/h3-4,7-8,17H,2,5-6,9H2,1H3
InChIKeyZRSAYNRKAJOTID-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.78
Rot. Bonds4

About 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol

2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol (PubChem CID 106541393) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
PubChem CID106541393
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
SMILESCCN(CCO)c1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C14H16N2O3/c1-2-16(5-6-17)14-11-8-13-12(18-9-19-13)7-10(11)3-4-15-14/h3-4,7-8,17H,2,5-6,9H2,1H3
InChIKeyZRSAYNRKAJOTID-UHFFFAOYSA-N
XLogP1.78
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol with MolForge

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Related Compounds

2-[butyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]ethanol
CID 106541427
N-(2-bromoethyl)-N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106542911
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol
CID 106541610
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid
CID 106536023
2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
CID 106541360
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106536534
3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
CID 106171503
3-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(propan-2-yl)amino]propanenitrile
CID 106536648
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 106540875
N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine
CID 106543337
2-[cyclopropyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]acetic acid
CID 106536005
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol?
The IUPAC name of 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol (CID 106541393) is 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol?
The canonical SMILES for 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol is CCN(CCO)c1nccc2cc3c(cc12)OCO3.
What is the InChIKey of 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol?
The InChIKey is ZRSAYNRKAJOTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-16(5-6-17)14-11-8-13-12(18-9-19-13)7-10(11)3-4-15-14/h3-4,7-8,17H,2,5-6,9H2,1H3.
What are the key properties of 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol?
2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol has a molecular weight of 260.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol is sourced from PubChem (CID 106541393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).