3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine

C22H15F3N2O — CID 102531409

IUPAC3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine
SMILESNc1nc2ccc(OC(F)(F)F)cc2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)28-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(21(26)27-18)15-9-5-2-6-10-15/h1-13H,(H2,26,27)
InChIKeyMICCWYXLGIWNPC-UHFFFAOYSA-N
MW380.37 g/mol
LogP6.05
Rot. Bonds3

About 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine

3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine (PubChem CID 102531409) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine.

Molecular Properties

Compound Name3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine
PubChem CID102531409
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine
SMILESNc1nc2ccc(OC(F)(F)F)cc2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)28-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(21(26)27-18)15-9-5-2-6-10-15/h1-13H,(H2,26,27)
InChIKeyMICCWYXLGIWNPC-UHFFFAOYSA-N
XLogP6.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3,4-diphenylquinolin-2-amine
CID 164679662
ethyl 2-methyl-4-phenyl-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 2135923
5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 152606381
6-(trifluoromethoxy)quinazolin-4-amine
CID 156900146
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
2-(trifluoromethoxy)triphenylene
CID 154001040
2-(2-methylbutan-2-yloxy)-9-phenylacridine
CID 175443882
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2-[4-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine
CID 155140916
2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine?
The IUPAC name of 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine (CID 102531409) is 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine.
What is the SMILES notation for 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine?
The canonical SMILES for 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine is Nc1nc2ccc(OC(F)(F)F)cc2c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine?
The InChIKey is MICCWYXLGIWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c23-22(24,25)28-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(21(26)27-18)15-9-5-2-6-10-15/h1-13H,(H2,26,27).
What are the key properties of 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine?
3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine has a molecular weight of 380.37 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-6-(trifluoromethoxy)quinolin-2-amine is sourced from PubChem (CID 102531409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).