6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine

C20H19F3N2O2 — CID 50877956

IUPAC6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESCCOc1cc2nccc(Nc3cccc(C(F)(F)F)c3)c2cc1OCC
InChIInChI=1S/C20H19F3N2O2/c1-3-26-18-11-15-16(8-9-24-17(15)12-19(18)27-4-2)25-14-7-5-6-13(10-14)20(21,22)23/h5-12H,3-4H2,1-2H3,(H,24,25)
InChIKeyCXGBGXYCAUBVAD-UHFFFAOYSA-N
MW376.38 g/mol
LogP5.79
Rot. Bonds6

About 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine

6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine (PubChem CID 50877956) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
PubChem CID50877956
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESCCOc1cc2nccc(Nc3cccc(C(F)(F)F)c3)c2cc1OCC
InChIInChI=1S/C20H19F3N2O2/c1-3-26-18-11-15-16(8-9-24-17(15)12-19(18)27-4-2)25-14-7-5-6-13(10-14)20(21,22)23/h5-12H,3-4H2,1-2H3,(H,24,25)
InChIKeyCXGBGXYCAUBVAD-UHFFFAOYSA-N
XLogP5.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
6,7-diethoxy-N-methylquinolin-4-amine
CID 62192228
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
3-ethoxy-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 18473839
N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 164852738
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930830
N-(6-bromoquinolin-4-yl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 154558825
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine (CID 50877956) is 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine is CCOc1cc2nccc(Nc3cccc(C(F)(F)F)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine?
The InChIKey is CXGBGXYCAUBVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-3-26-18-11-15-16(8-9-24-17(15)12-19(18)27-4-2)25-14-7-5-6-13(10-14)20(21,22)23/h5-12H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine?
6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine has a molecular weight of 376.38 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 50877956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).