4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine

C16H10BrF3N2 — CID 68876901

IUPAC4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine
SMILESNc1cc(-c2cccc(Br)c2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H10BrF3N2/c17-10-4-1-3-9(7-10)12-8-14(21)22-15-11(12)5-2-6-13(15)16(18,19)20/h1-8H,(H2,21,22)
InChIKeyCTOUBAWVGQALEZ-UHFFFAOYSA-N
MW367.17 g/mol
LogP5.27
Rot. Bonds1

About 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine

4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine (PubChem CID 68876901) has the molecular formula C16H10BrF3N2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine
PubChem CID68876901
Molecular FormulaC16H10BrF3N2
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine
SMILESNc1cc(-c2cccc(Br)c2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H10BrF3N2/c17-10-4-1-3-9(7-10)12-8-14(21)22-15-11(12)5-2-6-13(15)16(18,19)20/h1-8H,(H2,21,22)
InChIKeyCTOUBAWVGQALEZ-UHFFFAOYSA-N
XLogP5.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.17
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine (CID 68876901) is 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine is Nc1cc(-c2cccc(Br)c2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine?
The InChIKey is CTOUBAWVGQALEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2/c17-10-4-1-3-9(7-10)12-8-14(21)22-15-11(12)5-2-6-13(15)16(18,19)20/h1-8H,(H2,21,22).
What are the key properties of 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine?
4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine has a molecular weight of 367.17 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 68876901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).