2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol

C16H18N2O3 — CID 106541610

IUPAC2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)c1nccc2cc3c(cc12)OCCO3
InChIInChI=1S/C16H18N2O3/c1-2-5-18(6-7-19)16-13-11-15-14(20-8-9-21-15)10-12(13)3-4-17-16/h2-4,10-11,19H,1,5-9H2
InChIKeyFDENGTKJIVFHPC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.99
Rot. Bonds5

About 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol

2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol (PubChem CID 106541610) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol
PubChem CID106541610
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)c1nccc2cc3c(cc12)OCCO3
InChIInChI=1S/C16H18N2O3/c1-2-5-18(6-7-19)16-13-11-15-14(20-8-9-21-15)10-12(13)3-4-17-16/h2-4,10-11,19H,1,5-9H2
InChIKeyFDENGTKJIVFHPC-UHFFFAOYSA-N
XLogP1.99
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol with MolForge

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Related Compounds

2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
CID 106541393
2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
CID 106541360
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(ethyl)amino]acetic acid
CID 106536023
2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 106876373
N-pent-4-en-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106539518
2-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-N-methylpropane-1,2-diamine
CID 106543522
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylmethanethiol
CID 116995483
2-[(5-bromopyrimidin-4-yl)-prop-2-enylamino]ethanol
CID 115715080
3-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylamino)-2,2-dimethylpropan-1-ol
CID 106539218
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline-6-carboxylic acid
CID 82572007

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol (CID 106541610) is 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol is C=CCN(CCO)c1nccc2cc3c(cc12)OCCO3.
What is the InChIKey of 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol?
The InChIKey is FDENGTKJIVFHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-5-18(6-7-19)16-13-11-15-14(20-8-9-21-15)10-12(13)3-4-17-16/h2-4,10-11,19H,1,5-9H2.
What are the key properties of 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol?
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol has a molecular weight of 286.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 106541610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).