ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate

C20H17F3N2O3 — CID 22333855

IUPACethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O3/c1-3-28-19(26)15-11-24-18-14(8-5-9-16(18)27-2)17(15)25-13-7-4-6-12(10-13)20(21,22)23/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyFAWSUPTYGRNLAA-UHFFFAOYSA-N
MW390.36 g/mol
LogP5.18
Rot. Bonds5

About ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate

ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate (PubChem CID 22333855) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate
PubChem CID22333855
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Nameethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O3/c1-3-28-19(26)15-11-24-18-14(8-5-9-16(18)27-2)17(15)25-13-7-4-6-12(10-13)20(21,22)23/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyFAWSUPTYGRNLAA-UHFFFAOYSA-N
XLogP5.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
Ethyl 8-methoxy-4-phenoxyquinoline-3-carboxylate
CID 1479952
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate
CID 219567
1-[8-(2-Hydroxy-ethoxy)-4-(4-hydroxy-2-methyl-phenylamino)-quinolin-3-yl]-butan-1-one
CID 9821224
3-Butyryl-4-(2-methylphenylamino)-8-(3-dimethylaminopropoxy)quinoline
CID 9931129
4-(2-Fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 9945927
3-Butyryl-4-(2-methylphenylamino)-8-(3-piperidinopropoxy)quinoline
CID 9980963

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate (CID 22333855) is ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate?
The InChIKey is FAWSUPTYGRNLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-3-28-19(26)15-11-24-18-14(8-5-9-16(18)27-2)17(15)25-13-7-4-6-12(10-13)20(21,22)23/h4-11H,3H2,1-2H3,(H,24,25).
What are the key properties of ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate?
ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate has a molecular weight of 390.36 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate is sourced from PubChem (CID 22333855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).