6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine

C22H18BrN3 — CID 2173831

IUPAC6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine
SMILESCc1ccc(C)c(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C22H18BrN3/c1-14-8-9-15(2)20(12-14)25-22-24-19-11-10-17(23)13-18(19)21(26-22)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyHISNWDUXTRMOAF-UHFFFAOYSA-N
MW404.31 g/mol
LogP6.42
Rot. Bonds3

About 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine

6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine (PubChem CID 2173831) has the molecular formula C22H18BrN3 and a molecular weight of 404.31 g/mol. Its IUPAC name is 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine
PubChem CID2173831
Molecular FormulaC22H18BrN3
Molecular Weight404.31 g/mol
Exact Mass403.07
IUPAC Name6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine
SMILESCc1ccc(C)c(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C22H18BrN3/c1-14-8-9-15(2)20(12-14)25-22-24-19-11-10-17(23)13-18(19)21(26-22)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyHISNWDUXTRMOAF-UHFFFAOYSA-N
XLogP6.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine?
The IUPAC name of 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine (CID 2173831) is 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine is Cc1ccc(C)c(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine?
The InChIKey is HISNWDUXTRMOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3/c1-14-8-9-15(2)20(12-14)25-22-24-19-11-10-17(23)13-18(19)21(26-22)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine?
6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine has a molecular weight of 404.31 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,5-dimethylphenyl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 2173831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).