[2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate

C19H20N2O2 — CID 11948479

IUPAC[2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate
SMILESCN1C=C(c2ccccc2OC(=O)N(C)C)c2ccccc2C1
InChIInChI=1S/C19H20N2O2/c1-20(2)19(22)23-18-11-7-6-10-16(18)17-13-21(3)12-14-8-4-5-9-15(14)17/h4-11,13H,12H2,1-3H3
InChIKeyDTNWAVZGVSVGQX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.58
Rot. Bonds2

About [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate

[2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate (PubChem CID 11948479) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate
PubChem CID11948479
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name[2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate
SMILESCN1C=C(c2ccccc2OC(=O)N(C)C)c2ccccc2C1
InChIInChI=1S/C19H20N2O2/c1-20(2)19(22)23-18-11-7-6-10-16(18)17-13-21(3)12-14-8-4-5-9-15(14)17/h4-11,13H,12H2,1-3H3
InChIKeyDTNWAVZGVSVGQX-UHFFFAOYSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate (CID 11948479) is [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate is CN1C=C(c2ccccc2OC(=O)N(C)C)c2ccccc2C1.
What is the InChIKey of [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate?
The InChIKey is DTNWAVZGVSVGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20(2)19(22)23-18-11-7-6-10-16(18)17-13-21(3)12-14-8-4-5-9-15(14)17/h4-11,13H,12H2,1-3H3.
What are the key properties of [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate?
[2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate has a molecular weight of 308.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 11948479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).