N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine

C17H12BrF3N2 — CID 23477012

IUPACN-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Nc2ccc(Br)cc2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H12BrF3N2/c1-10-8-15(23-13-5-3-12(18)4-6-13)14-7-2-11(17(19,20)21)9-16(14)22-10/h2-9H,1H3,(H,22,23)
InChIKeyWCJZPHDRLGZHNO-UHFFFAOYSA-N
MW381.20 g/mol
LogP6.07
Rot. Bonds2

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

N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 23477012) has the molecular formula C17H12BrF3N2 and a molecular weight of 381.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
PubChem CID23477012
Molecular FormulaC17H12BrF3N2
Molecular Weight381.20 g/mol
Exact Mass380.01
IUPAC NameN-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Nc2ccc(Br)cc2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H12BrF3N2/c1-10-8-15(23-13-5-3-12(18)4-6-13)14-7-2-11(17(19,20)21)9-16(14)22-10/h2-9H,1H3,(H,22,23)
InChIKeyWCJZPHDRLGZHNO-UHFFFAOYSA-N
XLogP6.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.20
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine (CID 23477012) is N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine is Cc1cc(Nc2ccc(Br)cc2)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is WCJZPHDRLGZHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N2/c1-10-8-15(23-13-5-3-12(18)4-6-13)14-7-2-11(17(19,20)21)9-16(14)22-10/h2-9H,1H3,(H,22,23).
What are the key properties of N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine?
N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 381.20 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 23477012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).