ethyl N-(4-methylisoquinolin-6-yl)carbamate

C13H14N2O2 — CID 22674159

IUPACethyl N-(4-methylisoquinolin-6-yl)carbamate
SMILESCCOC(=O)Nc1ccc2cncc(C)c2c1
InChIInChI=1S/C13H14N2O2/c1-3-17-13(16)15-11-5-4-10-8-14-7-9(2)12(10)6-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyJFQDEXWRKWNGCS-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.11
Rot. Bonds2

About ethyl N-(4-methylisoquinolin-6-yl)carbamate

ethyl N-(4-methylisoquinolin-6-yl)carbamate (PubChem CID 22674159) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl N-(4-methylisoquinolin-6-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-methylisoquinolin-6-yl)carbamate
PubChem CID22674159
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl N-(4-methylisoquinolin-6-yl)carbamate
SMILESCCOC(=O)Nc1ccc2cncc(C)c2c1
InChIInChI=1S/C13H14N2O2/c1-3-17-13(16)15-11-5-4-10-8-14-7-9(2)12(10)6-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyJFQDEXWRKWNGCS-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate
CID 68802695
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl 2-(isoquinolin-7-ylamino)-2-oxoacetate
CID 58603917
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
ethyl N-(6-deuterio-3-pyridinyl)carbamate
CID 175880525
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-methylisoquinolin-6-yl)carbamate?
The IUPAC name of ethyl N-(4-methylisoquinolin-6-yl)carbamate (CID 22674159) is ethyl N-(4-methylisoquinolin-6-yl)carbamate.
What is the SMILES notation for ethyl N-(4-methylisoquinolin-6-yl)carbamate?
The canonical SMILES for ethyl N-(4-methylisoquinolin-6-yl)carbamate is CCOC(=O)Nc1ccc2cncc(C)c2c1.
What is the InChIKey of ethyl N-(4-methylisoquinolin-6-yl)carbamate?
The InChIKey is JFQDEXWRKWNGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-17-13(16)15-11-5-4-10-8-14-7-9(2)12(10)6-11/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl N-(4-methylisoquinolin-6-yl)carbamate?
ethyl N-(4-methylisoquinolin-6-yl)carbamate has a molecular weight of 230.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-methylisoquinolin-6-yl)carbamate is sourced from PubChem (CID 22674159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).