N,N-dimethylquinolin-2-amine;ethyl formate

C14H18N2O2 — CID 173137304

IUPACN,N-dimethylquinolin-2-amine;ethyl formate
SMILESCCOC=O.CN(C)c1ccc2ccccc2n1
InChIInChI=1S/C11H12N2.C3H6O2/c1-13(2)11-8-7-9-5-3-4-6-10(9)12-11;1-2-5-3-4/h3-8H,1-2H3;3H,2H2,1H3
InChIKeyTUPQGGVHLXNOCN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.48
Rot. Bonds3

About N,N-dimethylquinolin-2-amine;ethyl formate

N,N-dimethylquinolin-2-amine;ethyl formate (PubChem CID 173137304) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N-dimethylquinolin-2-amine;ethyl formate.

Molecular Properties

Compound NameN,N-dimethylquinolin-2-amine;ethyl formate
PubChem CID173137304
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN,N-dimethylquinolin-2-amine;ethyl formate
SMILESCCOC=O.CN(C)c1ccc2ccccc2n1
InChIInChI=1S/C11H12N2.C3H6O2/c1-13(2)11-8-7-9-5-3-4-6-10(9)12-11;1-2-5-3-4/h3-8H,1-2H3;3H,2H2,1H3
InChIKeyTUPQGGVHLXNOCN-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N,N-dimethylquinolin-2-amine;ethyl formate 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 N,N-dimethylquinolin-2-amine;ethyl formate?
The IUPAC name of N,N-dimethylquinolin-2-amine;ethyl formate (CID 173137304) is N,N-dimethylquinolin-2-amine;ethyl formate.
What is the SMILES notation for N,N-dimethylquinolin-2-amine;ethyl formate?
The canonical SMILES for N,N-dimethylquinolin-2-amine;ethyl formate is CCOC=O.CN(C)c1ccc2ccccc2n1.
What is the InChIKey of N,N-dimethylquinolin-2-amine;ethyl formate?
The InChIKey is TUPQGGVHLXNOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C3H6O2/c1-13(2)11-8-7-9-5-3-4-6-10(9)12-11;1-2-5-3-4/h3-8H,1-2H3;3H,2H2,1H3.
What are the key properties of N,N-dimethylquinolin-2-amine;ethyl formate?
N,N-dimethylquinolin-2-amine;ethyl formate has a molecular weight of 246.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylquinolin-2-amine;ethyl formate is sourced from PubChem (CID 173137304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).