N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine

C19H17F3N2 — CID 23477036

IUPACN-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(C)cc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)c1
InChIInChI=1S/C19H17F3N2/c1-11-6-12(2)8-15(7-11)24-17-9-13(3)23-18-10-14(19(20,21)22)4-5-16(17)18/h4-10H,1-3H3,(H,23,24)
InChIKeyAPJCNEUQTUPZBN-UHFFFAOYSA-N
MW330.35 g/mol
LogP5.92
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine

N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 23477036) has the molecular formula C19H17F3N2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
PubChem CID23477036
Molecular FormulaC19H17F3N2
Molecular Weight330.35 g/mol
Exact Mass330.13
IUPAC NameN-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(C)cc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)c1
InChIInChI=1S/C19H17F3N2/c1-11-6-12(2)8-15(7-11)24-17-9-13(3)23-18-10-14(19(20,21)22)4-5-16(17)18/h4-10H,1-3H3,(H,23,24)
InChIKeyAPJCNEUQTUPZBN-UHFFFAOYSA-N
XLogP5.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine (CID 23477036) is N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine is Cc1cc(C)cc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is APJCNEUQTUPZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2/c1-11-6-12(2)8-15(7-11)24-17-9-13(3)23-18-10-14(19(20,21)22)4-5-16(17)18/h4-10H,1-3H3,(H,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 330.35 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 23477036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).