methyl N-(2-methylquinolin-4-yl)carbamate

C12H12N2O2 — CID 3241038

IUPACmethyl N-(2-methylquinolin-4-yl)carbamate
SMILESCOC(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C12H12N2O2/c1-8-7-11(14-12(15)16-2)9-5-3-4-6-10(9)13-8/h3-7H,1-2H3,(H,13,14,15)
InChIKeyBJJKMYVRZFCFFT-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.72
Rot. Bonds1

About methyl N-(2-methylquinolin-4-yl)carbamate

methyl N-(2-methylquinolin-4-yl)carbamate (PubChem CID 3241038) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl N-(2-methylquinolin-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methylquinolin-4-yl)carbamate
PubChem CID3241038
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl N-(2-methylquinolin-4-yl)carbamate
SMILESCOC(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C12H12N2O2/c1-8-7-11(14-12(15)16-2)9-5-3-4-6-10(9)13-8/h3-7H,1-2H3,(H,13,14,15)
InChIKeyBJJKMYVRZFCFFT-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-(2-methylquinolin-4-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylquinolin-4-yl)carbamate?
The IUPAC name of methyl N-(2-methylquinolin-4-yl)carbamate (CID 3241038) is methyl N-(2-methylquinolin-4-yl)carbamate.
What is the SMILES notation for methyl N-(2-methylquinolin-4-yl)carbamate?
The canonical SMILES for methyl N-(2-methylquinolin-4-yl)carbamate is COC(=O)Nc1cc(C)nc2ccccc12.
What is the InChIKey of methyl N-(2-methylquinolin-4-yl)carbamate?
The InChIKey is BJJKMYVRZFCFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-7-11(14-12(15)16-2)9-5-3-4-6-10(9)13-8/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of methyl N-(2-methylquinolin-4-yl)carbamate?
methyl N-(2-methylquinolin-4-yl)carbamate has a molecular weight of 216.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylquinolin-4-yl)carbamate is sourced from PubChem (CID 3241038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).