2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid

C15H16N2O4 — CID 106536023

IUPAC2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)c1nccc2cc3c(cc12)OCCO3
InChIInChI=1S/C15H16N2O4/c1-2-17(9-14(18)19)15-11-8-13-12(20-5-6-21-13)7-10(11)3-4-16-15/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,19)
InChIKeyVIDSWSPWBVAARZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.92
Rot. Bonds4

About 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid

2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid (PubChem CID 106536023) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid
PubChem CID106536023
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)c1nccc2cc3c(cc12)OCCO3
InChIInChI=1S/C15H16N2O4/c1-2-17(9-14(18)19)15-11-8-13-12(20-5-6-21-13)7-10(11)3-4-16-15/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,19)
InChIKeyVIDSWSPWBVAARZ-UHFFFAOYSA-N
XLogP1.92
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid with MolForge

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Related Compounds

N-(2-bromoethyl)-N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106542911
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536025
2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
CID 106541393
2-[cyclopropyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]acetic acid
CID 106536005
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline-6-carboxylic acid
CID 82572007
2-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-N-methylpropane-1,2-diamine
CID 106543522
3-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylsulfanyl)butanoic acid
CID 106536832
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(prop-2-enyl)amino]ethanol
CID 106541610
2-[butyl([1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]ethanol
CID 106541427
4-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)butan-2-one
CID 116995488
2-[cyclopropylmethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106535979
2-[cyclopropyl(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)amino]ethanol
CID 106541360

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid (CID 106536023) is 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid is CCN(CC(=O)O)c1nccc2cc3c(cc12)OCCO3.
What is the InChIKey of 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid?
The InChIKey is VIDSWSPWBVAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-17(9-14(18)19)15-11-8-13-12(20-5-6-21-13)7-10(11)3-4-16-15/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,19).
What are the key properties of 2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid?
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.92, 4 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(ethyl)amino]acetic acid is sourced from PubChem (CID 106536023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).