(2,3-dimethylquinolin-8-yl) N-methylcarbamate

C13H14N2O2 — CID 69053510

IUPAC(2,3-dimethylquinolin-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2cc(C)c(C)nc12
InChIInChI=1S/C13H14N2O2/c1-8-7-10-5-4-6-11(17-13(16)14-3)12(10)15-9(8)2/h4-7H,1-3H3,(H,14,16)
InChIKeyMZOGRQIRWCVOKU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.57
Rot. Bonds1

About (2,3-dimethylquinolin-8-yl) N-methylcarbamate

(2,3-dimethylquinolin-8-yl) N-methylcarbamate (PubChem CID 69053510) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2,3-dimethylquinolin-8-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2,3-dimethylquinolin-8-yl) N-methylcarbamate
PubChem CID69053510
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2,3-dimethylquinolin-8-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc2cc(C)c(C)nc12
InChIInChI=1S/C13H14N2O2/c1-8-7-10-5-4-6-11(17-13(16)14-3)12(10)15-9(8)2/h4-7H,1-3H3,(H,14,16)
InChIKeyMZOGRQIRWCVOKU-UHFFFAOYSA-N
XLogP2.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-yl N-methylcarbamate
CID 23447097
1-benzothiophen-7-yl N-methylcarbamate
CID 130006120
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
benzo[h]quinolin-10-yl N-methylcarbamate
CID 139035586
(1,2-dimethylquinolin-1-ium-8-yl) N-methylcarbamate
CID 3054525
8-bromo-2,3-dimethylquinoline
CID 11402096
(2-methylquinolin-8-yl) N-[4-[[4-[(2-methylquinolin-8-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 5053129
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122646293
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
[6-(methylcarbamoylamino)-2-pyridinyl] N-methylcarbamate
CID 134123038

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinolin-8-yl) N-methylcarbamate?
The IUPAC name of (2,3-dimethylquinolin-8-yl) N-methylcarbamate (CID 69053510) is (2,3-dimethylquinolin-8-yl) N-methylcarbamate.
What is the SMILES notation for (2,3-dimethylquinolin-8-yl) N-methylcarbamate?
The canonical SMILES for (2,3-dimethylquinolin-8-yl) N-methylcarbamate is CNC(=O)Oc1cccc2cc(C)c(C)nc12.
What is the InChIKey of (2,3-dimethylquinolin-8-yl) N-methylcarbamate?
The InChIKey is MZOGRQIRWCVOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-7-10-5-4-6-11(17-13(16)14-3)12(10)15-9(8)2/h4-7H,1-3H3,(H,14,16).
What are the key properties of (2,3-dimethylquinolin-8-yl) N-methylcarbamate?
(2,3-dimethylquinolin-8-yl) N-methylcarbamate has a molecular weight of 230.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinolin-8-yl) N-methylcarbamate is sourced from PubChem (CID 69053510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).