ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate

C15H17BrN2O2 — CID 107578642

IUPACethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)c(Br)c(C)c2c1NC
InChIInChI=1S/C15H17BrN2O2/c1-5-20-15(19)10-7-18-11-6-8(2)13(16)9(3)12(11)14(10)17-4/h6-7H,5H2,1-4H3,(H,17,18)
InChIKeyNZHSGEMSTOGLCX-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.83
Rot. Bonds3

About ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate

ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate (PubChem CID 107578642) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate
PubChem CID107578642
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Nameethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)c(Br)c(C)c2c1NC
InChIInChI=1S/C15H17BrN2O2/c1-5-20-15(19)10-7-18-11-6-8(2)13(16)9(3)12(11)14(10)17-4/h6-7H,5H2,1-4H3,(H,17,18)
InChIKeyNZHSGEMSTOGLCX-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-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

Related Compounds

ethyl 5,6,8-trifluoro-4-(methylamino)quinoline-3-carboxylate
CID 62809200
ethyl 6-bromo-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 150234989
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
methyl 4-azido-6-bromo-5,7-dimethylquinoline-3-carboxylate
CID 107577355
ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
CID 1479090
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 2-bromo-5-(tribromomethyl)pyridine-3-carboxylate
CID 12919744
ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate
CID 163217955
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
ethyl 4-amino-2-(4-bromo-3,5-dimethylphenyl)pyrimidine-5-carboxylate
CID 114331281

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate (CID 107578642) is ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(C)c(Br)c(C)c2c1NC.
What is the InChIKey of ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is NZHSGEMSTOGLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-5-20-15(19)10-7-18-11-6-8(2)13(16)9(3)12(11)14(10)17-4/h6-7H,5H2,1-4H3,(H,17,18).
What are the key properties of ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate?
ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 337.22 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-5,7-dimethyl-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 107578642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).