ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate

C20H18F3N3O2 — CID 10068907

IUPACethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(N)cccc2c1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-2-28-19(27)15-11-26-18-14(7-4-8-16(18)24)17(15)25-10-12-5-3-6-13(9-12)20(21,22)23/h3-9,11H,2,10,24H2,1H3,(H,25,26)
InChIKeyOLDSWGLVGPOXNB-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.62
Rot. Bonds5

About ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate

ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate (PubChem CID 10068907) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate
PubChem CID10068907
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Nameethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(N)cccc2c1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-2-28-19(27)15-11-26-18-14(7-4-8-16(18)24)17(15)25-10-12-5-3-6-13(9-12)20(21,22)23/h3-9,11H,2,10,24H2,1H3,(H,25,26)
InChIKeyOLDSWGLVGPOXNB-UHFFFAOYSA-N
XLogP4.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]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 1-ethyl-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473452
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
CID 10066474
ethyl 4-[[3-(trifluoromethyl)phenyl]methylamino]thieno[2,3-d]pyrimidine-5-carboxylate
CID 84556426
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233
ethyl 3-amino-2-[(3-bromophenyl)methylamino]benzoate
CID 115934255
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 2-methylbenzoate
CID 46860424
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 62250848

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate (CID 10068907) is ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(N)cccc2c1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate?
The InChIKey is OLDSWGLVGPOXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-2-28-19(27)15-11-26-18-14(7-4-8-16(18)24)17(15)25-10-12-5-3-6-13(9-12)20(21,22)23/h3-9,11H,2,10,24H2,1H3,(H,25,26).
What are the key properties of ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate?
ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate has a molecular weight of 389.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate is sourced from PubChem (CID 10068907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).