4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline

C16H7BrF6N2 — CID 86646980

IUPAC4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(-c2cccc(Br)c2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H7BrF6N2/c17-9-4-1-3-8(7-9)12-10-5-2-6-11(15(18,19)20)13(10)25-14(24-12)16(21,22)23/h1-7H
InChIKeyNRAUXIXPRAXFJB-UHFFFAOYSA-N
MW421.14 g/mol
LogP6.10
Rot. Bonds1

About 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline

4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline (PubChem CID 86646980) has the molecular formula C16H7BrF6N2 and a molecular weight of 421.14 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline
PubChem CID86646980
Molecular FormulaC16H7BrF6N2
Molecular Weight421.14 g/mol
Exact Mass419.97
IUPAC Name4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(-c2cccc(Br)c2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H7BrF6N2/c17-9-4-1-3-8(7-9)12-10-5-2-6-11(15(18,19)20)13(10)25-14(24-12)16(21,22)23/h1-7H
InChIKeyNRAUXIXPRAXFJB-UHFFFAOYSA-N
XLogP6.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.14
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline?
The IUPAC name of 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline (CID 86646980) is 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline is FC(F)(F)c1nc(-c2cccc(Br)c2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline?
The InChIKey is NRAUXIXPRAXFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrF6N2/c17-9-4-1-3-8(7-9)12-10-5-2-6-11(15(18,19)20)13(10)25-14(24-12)16(21,22)23/h1-7H.
What are the key properties of 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline?
4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline has a molecular weight of 421.14 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline is sourced from PubChem (CID 86646980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).