2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

C22H15BrF3N3 — CID 46086055

IUPAC2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(CNc2nc(-c3cccc(Br)c3)nc3ccccc23)cc1
InChIInChI=1S/C22H15BrF3N3/c23-17-5-3-4-15(12-17)20-28-19-7-2-1-6-18(19)21(29-20)27-13-14-8-10-16(11-9-14)22(24,25)26/h1-12H,13H2,(H,27,28,29)
InChIKeyQZMMWQMTANKXCH-UHFFFAOYSA-N
MW458.28 g/mol
LogP6.69
Rot. Bonds4

About 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 46086055) has the molecular formula C22H15BrF3N3 and a molecular weight of 458.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID46086055
Molecular FormulaC22H15BrF3N3
Molecular Weight458.28 g/mol
Exact Mass457.04
IUPAC Name2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(CNc2nc(-c3cccc(Br)c3)nc3ccccc23)cc1
InChIInChI=1S/C22H15BrF3N3/c23-17-5-3-4-15(12-17)20-28-19-7-2-1-6-18(19)21(29-20)27-13-14-8-10-16(11-9-14)22(24,25)26/h1-12H,13H2,(H,27,28,29)
InChIKeyQZMMWQMTANKXCH-UHFFFAOYSA-N
XLogP6.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.28
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
CID 142747576
2-(3-bromophenyl)-N-(3-phenylpropyl)quinazolin-4-amine
CID 46086052
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
CID 69222573
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 171594927
6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 10363703
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 163368869
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol
CID 56692563

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (CID 46086055) is 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is FC(F)(F)c1ccc(CNc2nc(-c3cccc(Br)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is QZMMWQMTANKXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF3N3/c23-17-5-3-4-15(12-17)20-28-19-7-2-1-6-18(19)21(29-20)27-13-14-8-10-16(11-9-14)22(24,25)26/h1-12H,13H2,(H,27,28,29).
What are the key properties of 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 458.28 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 46086055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).