methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate

C13H14N2O3 — CID 106537314

IUPACmethyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
SMILESCOC(=O)CNc1nccc2ccc(OC)cc12
InChIInChI=1S/C13H14N2O3/c1-17-10-4-3-9-5-6-14-13(11(9)7-10)15-8-12(16)18-2/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyADMKIWRNJBDSBF-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.83
Rot. Bonds4

About methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate

methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate (PubChem CID 106537314) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
PubChem CID106537314
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
SMILESCOC(=O)CNc1nccc2ccc(OC)cc12
InChIInChI=1S/C13H14N2O3/c1-17-10-4-3-9-5-6-14-13(11(9)7-10)15-8-12(16)18-2/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyADMKIWRNJBDSBF-UHFFFAOYSA-N
XLogP1.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
CID 106539212
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-2-methylbutanoic acid
CID 106536428
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-3-methylbutanoic acid
CID 106536242
1-[(2-methoxy-2-oxoethyl)amino]isoquinoline-6-carboxylic acid
CID 82571400
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539651
2-[(7-methoxyisoquinolin-1-yl)amino]-2-methylpentanoic acid
CID 106535969
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate?
The IUPAC name of methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate (CID 106537314) is methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate?
The canonical SMILES for methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate is COC(=O)CNc1nccc2ccc(OC)cc12.
What is the InChIKey of methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate?
The InChIKey is ADMKIWRNJBDSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-10-4-3-9-5-6-14-13(11(9)7-10)15-8-12(16)18-2/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate?
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate has a molecular weight of 246.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate is sourced from PubChem (CID 106537314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).