2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine

C23H17F3N2O — CID 121284743

IUPAC2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESCOc1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H17F3N2O/c1-29-18-11-9-15(10-12-18)21-14-22(19-7-2-3-8-20(19)28-21)27-17-6-4-5-16(13-17)23(24,25)26/h2-14H,1H3,(H,27,28)
InChIKeyOGDIDHAPGDKVEK-UHFFFAOYSA-N
MW394.40 g/mol
LogP6.67
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine

2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine (PubChem CID 121284743) has the molecular formula C23H17F3N2O and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
PubChem CID121284743
Molecular FormulaC23H17F3N2O
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESCOc1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H17F3N2O/c1-29-18-11-9-15(10-12-18)21-14-22(19-7-2-3-8-20(19)28-21)27-17-6-4-5-16(13-17)23(24,25)26/h2-14H,1H3,(H,27,28)
InChIKeyOGDIDHAPGDKVEK-UHFFFAOYSA-N
XLogP6.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
N-[3-(trifluoromethyl)phenyl]acridin-9-amine
CID 2790705
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine
CID 11717826
N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
CID 2790704
N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 46269845
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
[2-(4-methoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1011234
2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 2790095
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine (CID 121284743) is 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine is COc1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine?
The InChIKey is OGDIDHAPGDKVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O/c1-29-18-11-9-15(10-12-18)21-14-22(19-7-2-3-8-20(19)28-21)27-17-6-4-5-16(13-17)23(24,25)26/h2-14H,1H3,(H,27,28).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine?
2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine has a molecular weight of 394.40 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 121284743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).