ethyl 2-(isoquinolin-6-ylmethylamino)acetate

C14H16N2O2 — CID 107038009

IUPACethyl 2-(isoquinolin-6-ylmethylamino)acetate
SMILESCCOC(=O)CNCc1ccc2cnccc2c1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)10-16-8-11-3-4-13-9-15-6-5-12(13)7-11/h3-7,9,16H,2,8,10H2,1H3
InChIKeyDIRUZWXRDIUGLD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.89
Rot. Bonds5

About ethyl 2-(isoquinolin-6-ylmethylamino)acetate

ethyl 2-(isoquinolin-6-ylmethylamino)acetate (PubChem CID 107038009) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-(isoquinolin-6-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(isoquinolin-6-ylmethylamino)acetate
PubChem CID107038009
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 2-(isoquinolin-6-ylmethylamino)acetate
SMILESCCOC(=O)CNCc1ccc2cnccc2c1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)10-16-8-11-3-4-13-9-15-6-5-12(13)7-11/h3-7,9,16H,2,8,10H2,1H3
InChIKeyDIRUZWXRDIUGLD-UHFFFAOYSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(isoquinolin-6-ylmethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-isoquinolin-6-ylacetate
CID 53408596
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
ethyl 2-(isoquinolin-5-ylmethylamino)acetate
CID 62824255
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
ethyl 2-[(4-bromo-3-methylphenyl)methylamino]acetate
CID 66474260
ethyl 2-[(3-fluoro-4-methylphenyl)methylamino]acetate
CID 60721361
ethyl 2-[(3-propoxyphenyl)methylamino]acetate
CID 54901935
ethyl 4-isoquinolin-6-ylbut-3-enoate
CID 170796328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(isoquinolin-6-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(isoquinolin-6-ylmethylamino)acetate (CID 107038009) is ethyl 2-(isoquinolin-6-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(isoquinolin-6-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(isoquinolin-6-ylmethylamino)acetate is CCOC(=O)CNCc1ccc2cnccc2c1.
What is the InChIKey of ethyl 2-(isoquinolin-6-ylmethylamino)acetate?
The InChIKey is DIRUZWXRDIUGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-14(17)10-16-8-11-3-4-13-9-15-6-5-12(13)7-11/h3-7,9,16H,2,8,10H2,1H3.
What are the key properties of ethyl 2-(isoquinolin-6-ylmethylamino)acetate?
ethyl 2-(isoquinolin-6-ylmethylamino)acetate has a molecular weight of 244.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(isoquinolin-6-ylmethylamino)acetate is sourced from PubChem (CID 107038009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).