6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride

C19H17ClF4N2O — CID 171336416

IUPAC6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C(F)(F)F)cc(Nc3ccc(C)c(F)c3)c2c1.Cl
InChIInChI=1S/C19H16F4N2O.ClH/c1-3-26-13-6-7-16-14(9-13)17(10-18(25-16)19(21,22)23)24-12-5-4-11(2)15(20)8-12;/h4-10H,3H2,1-2H3,(H,24,25);1H
InChIKeyFPXXZUNTPWZOOR-UHFFFAOYSA-N
MW400.80 g/mol
LogP6.27
Rot. Bonds4

About 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride

6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride (PubChem CID 171336416) has the molecular formula C19H17ClF4N2O and a molecular weight of 400.80 g/mol. Its IUPAC name is 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride
PubChem CID171336416
Molecular FormulaC19H17ClF4N2O
Molecular Weight400.80 g/mol
Exact Mass400.10
IUPAC Name6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C(F)(F)F)cc(Nc3ccc(C)c(F)c3)c2c1.Cl
InChIInChI=1S/C19H16F4N2O.ClH/c1-3-26-13-6-7-16-14(9-13)17(10-18(25-16)19(21,22)23)24-12-5-4-11(2)15(20)8-12;/h4-10H,3H2,1-2H3,(H,24,25);1H
InChIKeyFPXXZUNTPWZOOR-UHFFFAOYSA-N
XLogP6.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.80
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
6-ethoxy-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62202355
6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62201831
6-ethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743905
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-ethoxy-5-fluoro-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 63592152
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride
CID 2790115
N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 169487812

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride?
The IUPAC name of 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride (CID 171336416) is 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride is CCOc1ccc2nc(C(F)(F)F)cc(Nc3ccc(C)c(F)c3)c2c1.Cl.
What is the InChIKey of 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride?
The InChIKey is FPXXZUNTPWZOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O.ClH/c1-3-26-13-6-7-16-14(9-13)17(10-18(25-16)19(21,22)23)24-12-5-4-11(2)15(20)8-12;/h4-10H,3H2,1-2H3,(H,24,25);1H.
What are the key properties of 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride?
6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride has a molecular weight of 400.80 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 171336416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).