2-(4-bromophenyl)-4-phenylquinazoline

C20H13BrN2 — CID 11325886

IUPAC2-(4-bromophenyl)-4-phenylquinazoline
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H13BrN2/c21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14/h1-13H
InChIKeyFARAOARIVJZINN-UHFFFAOYSA-N
MW361.24 g/mol
LogP5.73
Rot. Bonds2

About 2-(4-bromophenyl)-4-phenylquinazoline

2-(4-bromophenyl)-4-phenylquinazoline (PubChem CID 11325886) has the molecular formula C20H13BrN2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-phenylquinazoline
PubChem CID11325886
Molecular FormulaC20H13BrN2
Molecular Weight361.24 g/mol
Exact Mass360.03
IUPAC Name2-(4-bromophenyl)-4-phenylquinazoline
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H13BrN2/c21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14/h1-13H
InChIKeyFARAOARIVJZINN-UHFFFAOYSA-N
XLogP5.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.24
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-phenylquinazoline?
The IUPAC name of 2-(4-bromophenyl)-4-phenylquinazoline (CID 11325886) is 2-(4-bromophenyl)-4-phenylquinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-4-phenylquinazoline?
The canonical SMILES for 2-(4-bromophenyl)-4-phenylquinazoline is Brc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-phenylquinazoline?
The InChIKey is FARAOARIVJZINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2/c21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 2-(4-bromophenyl)-4-phenylquinazoline?
2-(4-bromophenyl)-4-phenylquinazoline has a molecular weight of 361.24 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-phenylquinazoline is sourced from PubChem (CID 11325886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).