2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline

C21H17BrN2 — CID 134431477

IUPAC2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline
SMILESCN1C(c2ccccc2)=c2ccccc2=NC1c1ccc(Br)cc1
InChIInChI=1S/C21H17BrN2/c1-24-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21(24)16-11-13-17(22)14-12-16/h2-14,21H,1H3
InChIKeyFFMTZCZNKWUYRF-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.87
Rot. Bonds2

About 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline

2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline (PubChem CID 134431477) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline
PubChem CID134431477
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline
SMILESCN1C(c2ccccc2)=c2ccccc2=NC1c1ccc(Br)cc1
InChIInChI=1S/C21H17BrN2/c1-24-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21(24)16-11-13-17(22)14-12-16/h2-14,21H,1H3
InChIKeyFFMTZCZNKWUYRF-UHFFFAOYSA-N
XLogP3.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline?
The IUPAC name of 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline (CID 134431477) is 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline?
The canonical SMILES for 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline is CN1C(c2ccccc2)=c2ccccc2=NC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline?
The InChIKey is FFMTZCZNKWUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c1-24-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21(24)16-11-13-17(22)14-12-16/h2-14,21H,1H3.
What are the key properties of 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline?
2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline has a molecular weight of 377.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-methyl-4-phenyl-2H-quinazoline is sourced from PubChem (CID 134431477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).