6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline

C22H16Br2N2 — CID 122600310

IUPAC6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline
SMILESCc1cccc(C)c1-c1nc(-c2cccc(Br)c2)nc2ccc(Br)cc12
InChIInChI=1S/C22H16Br2N2/c1-13-5-3-6-14(2)20(13)21-18-12-17(24)9-10-19(18)25-22(26-21)15-7-4-8-16(23)11-15/h3-12H,1-2H3
InChIKeyKWQUYPOZYSWYMQ-UHFFFAOYSA-N
MW468.19 g/mol
LogP7.11
Rot. Bonds2

About 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline

6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline (PubChem CID 122600310) has the molecular formula C22H16Br2N2 and a molecular weight of 468.19 g/mol. Its IUPAC name is 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline.

Molecular Properties

Compound Name6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline
PubChem CID122600310
Molecular FormulaC22H16Br2N2
Molecular Weight468.19 g/mol
Exact Mass465.97
IUPAC Name6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline
SMILESCc1cccc(C)c1-c1nc(-c2cccc(Br)c2)nc2ccc(Br)cc12
InChIInChI=1S/C22H16Br2N2/c1-13-5-3-6-14(2)20(13)21-18-12-17(24)9-10-19(18)25-22(26-21)15-7-4-8-16(23)11-15/h3-12H,1-2H3
InChIKeyKWQUYPOZYSWYMQ-UHFFFAOYSA-N
XLogP7.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.19
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)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

6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
magnesium;3-bromobenzoyl chloride;3-bromo-N-(4-bromo-2-isocyanophenyl)benzamide;6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline;4-bromo-2-isocyanoaniline;1,3-dimethylbenzene-2-ide;bromide
CID 161011105
6-bromo-2-phenylquinazolin-4-amine
CID 15879877
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine
CID 23909624
6-bromo-2-methyl-4-(3-methylphenyl)quinoline
CID 168914877
[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 62743751
2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline
CID 134432211
6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
CID 64981378
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
CID 64981376

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline?
The IUPAC name of 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline (CID 122600310) is 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline.
What is the SMILES notation for 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline?
The canonical SMILES for 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline is Cc1cccc(C)c1-c1nc(-c2cccc(Br)c2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline?
The InChIKey is KWQUYPOZYSWYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2N2/c1-13-5-3-6-14(2)20(13)21-18-12-17(24)9-10-19(18)25-22(26-21)15-7-4-8-16(23)11-15/h3-12H,1-2H3.
What are the key properties of 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline?
6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline has a molecular weight of 468.19 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-bromophenyl)-4-(2,6-dimethylphenyl)quinazoline is sourced from PubChem (CID 122600310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).