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

C26H26ClN3O6 — CID 157131713

IUPACethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1Cl.CCOC(=O)c1cnc2ccc(OC)cc2c1N
InChIInChI=1S/C13H12ClNO3.C13H14N2O3/c2*1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3;4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyAJDQDGIEKUGKAU-UHFFFAOYSA-N
MW511.96 g/mol
LogP5.08
Rot. Bonds6

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

ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate (PubChem CID 157131713) has the molecular formula C26H26ClN3O6 and a molecular weight of 511.96 g/mol. Its IUPAC name is ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
PubChem CID157131713
Molecular FormulaC26H26ClN3O6
Molecular Weight511.96 g/mol
Exact Mass511.15
IUPAC Nameethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1Cl.CCOC(=O)c1cnc2ccc(OC)cc2c1N
InChIInChI=1S/C13H12ClNO3.C13H14N2O3/c2*1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3;4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyAJDQDGIEKUGKAU-UHFFFAOYSA-N
XLogP5.08
TPSA122.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.96
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-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;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate (CID 157131713) is ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1Cl.CCOC(=O)c1cnc2ccc(OC)cc2c1N.
What is the InChIKey of ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate?
The InChIKey is AJDQDGIEKUGKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3.C13H14N2O3/c2*1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3;4-7H,3H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate?
ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate has a molecular weight of 511.96 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methoxyquinoline-3-carboxylate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 157131713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).