ethyl N-isoquinolin-6-ylcarbamate

C12H12N2O2 — CID 22674074

IUPACethyl N-isoquinolin-6-ylcarbamate
SMILESCCOC(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)14-11-4-3-10-8-13-6-5-9(10)7-11/h3-8H,2H2,1H3,(H,14,15)
InChIKeyHPHQYVSSOMWXMX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.80
Rot. Bonds2

About ethyl N-isoquinolin-6-ylcarbamate

ethyl N-isoquinolin-6-ylcarbamate (PubChem CID 22674074) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl N-isoquinolin-6-ylcarbamate.

Molecular Properties

Compound Nameethyl N-isoquinolin-6-ylcarbamate
PubChem CID22674074
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl N-isoquinolin-6-ylcarbamate
SMILESCCOC(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)14-11-4-3-10-8-13-6-5-9(10)7-11/h3-8H,2H2,1H3,(H,14,15)
InChIKeyHPHQYVSSOMWXMX-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
ethyl 2-(isoquinolin-7-ylamino)-2-oxoacetate
CID 58603917
ethyl N-(4-methylisoquinolin-6-yl)carbamate
CID 22674159
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
N-isoquinolin-6-ylbutanamide
CID 118007953
[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate
CID 68802695
ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
ethyl 2-isoquinolin-6-ylacetate
CID 53408596
ethyl N-[3-(isoquinolin-6-ylamino)-3-oxo-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl]carbamate
CID 174027316

Frequently Asked Questions

What is the IUPAC name of ethyl N-isoquinolin-6-ylcarbamate?
The IUPAC name of ethyl N-isoquinolin-6-ylcarbamate (CID 22674074) is ethyl N-isoquinolin-6-ylcarbamate.
What is the SMILES notation for ethyl N-isoquinolin-6-ylcarbamate?
The canonical SMILES for ethyl N-isoquinolin-6-ylcarbamate is CCOC(=O)Nc1ccc2cnccc2c1.
What is the InChIKey of ethyl N-isoquinolin-6-ylcarbamate?
The InChIKey is HPHQYVSSOMWXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)14-11-4-3-10-8-13-6-5-9(10)7-11/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of ethyl N-isoquinolin-6-ylcarbamate?
ethyl N-isoquinolin-6-ylcarbamate has a molecular weight of 216.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-isoquinolin-6-ylcarbamate is sourced from PubChem (CID 22674074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).