methyl 2-amino-3,5-dimethylquinoline-6-carboxylate

C13H14N2O2 — CID 156830913

IUPACmethyl 2-amino-3,5-dimethylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N)c(C)cc2c1C
InChIInChI=1S/C13H14N2O2/c1-7-6-10-8(2)9(13(16)17-3)4-5-11(10)15-12(7)14/h4-6H,1-3H3,(H2,14,15)
InChIKeyZEWQJNRUQRZPRG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds1

About methyl 2-amino-3,5-dimethylquinoline-6-carboxylate

methyl 2-amino-3,5-dimethylquinoline-6-carboxylate (PubChem CID 156830913) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 2-amino-3,5-dimethylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3,5-dimethylquinoline-6-carboxylate
PubChem CID156830913
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 2-amino-3,5-dimethylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N)c(C)cc2c1C
InChIInChI=1S/C13H14N2O2/c1-7-6-10-8(2)9(13(16)17-3)4-5-11(10)15-12(7)14/h4-6H,1-3H3,(H2,14,15)
InChIKeyZEWQJNRUQRZPRG-UHFFFAOYSA-N
XLogP2.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-3,5-dimethylquinoline-6-carboxylate 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 2-amino-3,5-dimethylquinoline-6-carboxylate?
The IUPAC name of methyl 2-amino-3,5-dimethylquinoline-6-carboxylate (CID 156830913) is methyl 2-amino-3,5-dimethylquinoline-6-carboxylate.
What is the SMILES notation for methyl 2-amino-3,5-dimethylquinoline-6-carboxylate?
The canonical SMILES for methyl 2-amino-3,5-dimethylquinoline-6-carboxylate is COC(=O)c1ccc2nc(N)c(C)cc2c1C.
What is the InChIKey of methyl 2-amino-3,5-dimethylquinoline-6-carboxylate?
The InChIKey is ZEWQJNRUQRZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-6-10-8(2)9(13(16)17-3)4-5-11(10)15-12(7)14/h4-6H,1-3H3,(H2,14,15).
What are the key properties of methyl 2-amino-3,5-dimethylquinoline-6-carboxylate?
methyl 2-amino-3,5-dimethylquinoline-6-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,5-dimethylquinoline-6-carboxylate is sourced from PubChem (CID 156830913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).