ethyl 4-amino-6-methoxyquinoline-3-carboxylate

C13H14N2O3 — CID 16644472

IUPACethyl 4-amino-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1N
InChIInChI=1S/C13H14N2O3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyKWSSHDCTTIZJJQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.00
Rot. Bonds3

About ethyl 4-amino-6-methoxyquinoline-3-carboxylate

ethyl 4-amino-6-methoxyquinoline-3-carboxylate (PubChem CID 16644472) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 4-amino-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methoxyquinoline-3-carboxylate
PubChem CID16644472
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 4-amino-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1N
InChIInChI=1S/C13H14N2O3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyKWSSHDCTTIZJJQ-UHFFFAOYSA-N
XLogP2.00
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-amino-6-methoxyquinoline-3-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 ethyl 4-amino-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-methoxyquinoline-3-carboxylate (CID 16644472) is ethyl 4-amino-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1N.
What is the InChIKey of ethyl 4-amino-6-methoxyquinoline-3-carboxylate?
The InChIKey is KWSSHDCTTIZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 4-amino-6-methoxyquinoline-3-carboxylate?
ethyl 4-amino-6-methoxyquinoline-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 16644472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).