(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate

C13H18N2O2 — CID 12798249

IUPAC(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)c2c(n1)CCCC2
InChIInChI=1S/C13H18N2O2/c1-9-8-12(17-13(16)15(2)3)10-6-4-5-7-11(10)14-9/h8H,4-7H2,1-3H3
InChIKeyUGDSMVBQVGFJGW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.33
Rot. Bonds1

About (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate

(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate (PubChem CID 12798249) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate
PubChem CID12798249
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)c2c(n1)CCCC2
InChIInChI=1S/C13H18N2O2/c1-9-8-12(17-13(16)15(2)3)10-6-4-5-7-11(10)14-9/h8H,4-7H2,1-3H3
InChIKeyUGDSMVBQVGFJGW-UHFFFAOYSA-N
XLogP2.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate?
The IUPAC name of (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate (CID 12798249) is (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate?
The canonical SMILES for (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)c2c(n1)CCCC2.
What is the InChIKey of (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate?
The InChIKey is UGDSMVBQVGFJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-12(17-13(16)15(2)3)10-6-4-5-7-11(10)14-9/h8H,4-7H2,1-3H3.
What are the key properties of (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate?
(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5,6,7,8-tetrahydroquinolin-4-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 12798249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).