3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline

C16H12BrF3N2 — CID 152664390

IUPAC3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline
SMILESFC(F)(F)c1ccc2c(c1)=CN(Cc1ccc(Br)cc1)CN=2
InChIInChI=1S/C16H12BrF3N2/c17-14-4-1-11(2-5-14)8-22-9-12-7-13(16(18,19)20)3-6-15(12)21-10-22/h1-7,9H,8,10H2
InChIKeyZKEYURYBPVVMLE-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.30
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline

3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline (PubChem CID 152664390) has the molecular formula C16H12BrF3N2 and a molecular weight of 369.18 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline
PubChem CID152664390
Molecular FormulaC16H12BrF3N2
Molecular Weight369.18 g/mol
Exact Mass368.01
IUPAC Name3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline
SMILESFC(F)(F)c1ccc2c(c1)=CN(Cc1ccc(Br)cc1)CN=2
InChIInChI=1S/C16H12BrF3N2/c17-14-4-1-11(2-5-14)8-22-9-12-7-13(16(18,19)20)3-6-15(12)21-10-22/h1-7,9H,8,10H2
InChIKeyZKEYURYBPVVMLE-UHFFFAOYSA-N
XLogP3.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline?
The IUPAC name of 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline (CID 152664390) is 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline is FC(F)(F)c1ccc2c(c1)=CN(Cc1ccc(Br)cc1)CN=2.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline?
The InChIKey is ZKEYURYBPVVMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2/c17-14-4-1-11(2-5-14)8-22-9-12-7-13(16(18,19)20)3-6-15(12)21-10-22/h1-7,9H,8,10H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline?
3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline has a molecular weight of 369.18 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline is sourced from PubChem (CID 152664390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).