2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid

C14H16N2O3 — CID 106536025

IUPAC2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1nccc2ccc(OC)cc12
InChIInChI=1S/C14H16N2O3/c1-3-16(9-13(17)18)14-12-8-11(19-2)5-4-10(12)6-7-15-14/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeySENULUTZWRNDEY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.15
Rot. Bonds5

About 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid

2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid (PubChem CID 106536025) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
PubChem CID106536025
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1nccc2ccc(OC)cc12
InChIInChI=1S/C14H16N2O3/c1-3-16(9-13(17)18)14-12-8-11(19-2)5-4-10(12)6-7-15-14/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeySENULUTZWRNDEY-UHFFFAOYSA-N
XLogP2.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-methoxyisoquinolin-1-yl)-prop-2-ynylamino]acetic acid
CID 106536316
2-[cyclopropylmethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106535979
2-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(ethyl)amino]acetic acid
CID 106536023
2-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoic acid
CID 106536110
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
1-ethyl-7-methoxyisoquinoline
CID 119092688
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid
CID 66287387
2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid
CID 116995318
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587
N-(3-bromopropyl)-7-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542939

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid (CID 106536025) is 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid is CCN(CC(=O)O)c1nccc2ccc(OC)cc12.
What is the InChIKey of 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid?
The InChIKey is SENULUTZWRNDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16(9-13(17)18)14-12-8-11(19-2)5-4-10(12)6-7-15-14/h4-8H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid?
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid is sourced from PubChem (CID 106536025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).