ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate

C19H16F2N2O2 — CID 23239653

IUPACethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)cc(F)cc2c1Nc1cccc(C)c1
InChIInChI=1S/C19H16F2N2O2/c1-3-25-19(24)15-10-22-18-14(8-12(20)9-16(18)21)17(15)23-13-6-4-5-11(2)7-13/h4-10H,3H2,1-2H3,(H,22,23)
InChIKeyCIAAJBJGVKQWDL-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.74
Rot. Bonds4

About ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate

ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate (PubChem CID 23239653) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
PubChem CID23239653
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Nameethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)cc(F)cc2c1Nc1cccc(C)c1
InChIInChI=1S/C19H16F2N2O2/c1-3-25-19(24)15-10-22-18-14(8-12(20)9-16(18)21)17(15)23-13-6-4-5-11(2)7-13/h4-10H,3H2,1-2H3,(H,22,23)
InChIKeyCIAAJBJGVKQWDL-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6,8-difluoro-4-(3-methylanilino)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

6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
CID 23239670
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
CID 2790780
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethane;ethyl 4-(3-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 144591369
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790542
3-[[3-ethoxycarbonyl-8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 3301272

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate (CID 23239653) is ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(F)cc(F)cc2c1Nc1cccc(C)c1.
What is the InChIKey of ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate?
The InChIKey is CIAAJBJGVKQWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-3-25-19(24)15-10-22-18-14(8-12(20)9-16(18)21)17(15)23-13-6-4-5-11(2)7-13/h4-10H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate?
ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 23239653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).