2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline

C28H19BrN4 — CID 162066180

IUPAC2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline
SMILESBrc1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.c1ccc2ncncc2c1
InChIInChI=1S/C20H13BrN2.C8H6N2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-2-4-8-7(3-1)5-9-6-10-8/h1-13H;1-6H
InChIKeyZAMFXBNKUHRBFN-UHFFFAOYSA-N
MW491.39 g/mol
LogP7.36
Rot. Bonds2

About 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline

2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline (PubChem CID 162066180) has the molecular formula C28H19BrN4 and a molecular weight of 491.39 g/mol. Its IUPAC name is 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline.

Molecular Properties

Compound Name2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline
PubChem CID162066180
Molecular FormulaC28H19BrN4
Molecular Weight491.39 g/mol
Exact Mass490.08
IUPAC Name2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline
SMILESBrc1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.c1ccc2ncncc2c1
InChIInChI=1S/C20H13BrN2.C8H6N2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-2-4-8-7(3-1)5-9-6-10-8/h1-13H;1-6H
InChIKeyZAMFXBNKUHRBFN-UHFFFAOYSA-N
XLogP7.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline with MolForge

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

Launch Full Analysis

Related Compounds

phenanthrene;quinazoline
CID 175352249
7-phenylquinazoline
CID 142441841
pyridine;quinazoline;hydrofluoride
CID 159567796
2-iodo-4-(4-phenylphenyl)quinazoline
CID 134286122
quinazoline;sulfuric acid
CID 68666384
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2-bromo-4-dibenzothiophen-3-ylquinazoline
CID 134362510
2,1-benzothiazole;quinazoline
CID 145320674
1,2-dihydrocinnoline;quinazoline
CID 177193666
2-hydroxypropanoic acid;quinazoline
CID 157213189
pyridine;pentakis(1H-pyrrole);quinazoline
CID 161401177
4-bromo-5-(4-phenylphenyl)pyrimidine
CID 105371256

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline?
The IUPAC name of 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline (CID 162066180) is 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline.
What is the SMILES notation for 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline?
The canonical SMILES for 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline is Brc1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.c1ccc2ncncc2c1.
What is the InChIKey of 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline?
The InChIKey is ZAMFXBNKUHRBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2.C8H6N2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-2-4-8-7(3-1)5-9-6-10-8/h1-13H;1-6H.
What are the key properties of 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline?
2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline has a molecular weight of 491.39 g/mol, XLogP of 7.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-phenylphenyl)quinazoline;quinazoline is sourced from PubChem (CID 162066180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).