N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine

C18H14BrF3N2 — CID 23476982

IUPACN-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)c(Br)c1
InChIInChI=1S/C18H14BrF3N2/c1-10-3-6-15(14(19)7-10)24-16-8-11(2)23-17-9-12(18(20,21)22)4-5-13(16)17/h3-9H,1-2H3,(H,23,24)
InChIKeySHYFORYLTUSOHD-UHFFFAOYSA-N
MW395.22 g/mol
LogP6.38
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine

N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 23476982) has the molecular formula C18H14BrF3N2 and a molecular weight of 395.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
PubChem CID23476982
Molecular FormulaC18H14BrF3N2
Molecular Weight395.22 g/mol
Exact Mass394.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)c(Br)c1
InChIInChI=1S/C18H14BrF3N2/c1-10-3-6-15(14(19)7-10)24-16-8-11(2)23-17-9-12(18(20,21)22)4-5-13(16)17/h3-9H,1-2H3,(H,23,24)
InChIKeySHYFORYLTUSOHD-UHFFFAOYSA-N
XLogP6.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.22
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine (CID 23476982) is N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine is Cc1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is SHYFORYLTUSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N2/c1-10-3-6-15(14(19)7-10)24-16-8-11(2)23-17-9-12(18(20,21)22)4-5-13(16)17/h3-9H,1-2H3,(H,23,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 395.22 g/mol, XLogP of 6.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 23476982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).