6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine

C22H18BrN3 — CID 23909624

IUPAC6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)nc3ccc(Br)cc23)cc1C
InChIInChI=1S/C22H18BrN3/c1-14-8-10-18(12-15(14)2)24-22-19-13-17(23)9-11-20(19)25-21(26-22)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyUFKVEMLURQKNKN-UHFFFAOYSA-N
MW404.31 g/mol
LogP6.42
Rot. Bonds3

About 6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine

6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine (PubChem CID 23909624) has the molecular formula C22H18BrN3 and a molecular weight of 404.31 g/mol. Its IUPAC name is 6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine
PubChem CID23909624
Molecular FormulaC22H18BrN3
Molecular Weight404.31 g/mol
Exact Mass403.07
IUPAC Name6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)nc3ccc(Br)cc23)cc1C
InChIInChI=1S/C22H18BrN3/c1-14-8-10-18(12-15(14)2)24-22-19-13-17(23)9-11-20(19)25-21(26-22)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyUFKVEMLURQKNKN-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-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine (CID 23909624) is 6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine is Cc1ccc(Nc2nc(-c3ccccc3)nc3ccc(Br)cc23)cc1C.
What is the InChIKey of 6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine?
The InChIKey is UFKVEMLURQKNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3/c1-14-8-10-18(12-15(14)2)24-22-19-13-17(23)9-11-20(19)25-21(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-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine?
6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-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-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 23909624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).