2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one

C32H35BrN2O — CID 162672702

IUPAC2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(Br)cc1)N(c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C32H35BrN2O/c1-31(2,3)23-13-17-25(18-14-23)34-21-27-28(19-32(4,5)20-29(27)36)35(26-9-7-6-8-10-26)30(34)22-11-15-24(33)16-12-22/h6-18,30H,19-21H2,1-5H3
InChIKeyXJJUEFNEEIPSHN-UHFFFAOYSA-N
MW543.55 g/mol
LogP8.42
Rot. Bonds3

About 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one

2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 162672702) has the molecular formula C32H35BrN2O and a molecular weight of 543.55 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one
PubChem CID162672702
Molecular FormulaC32H35BrN2O
Molecular Weight543.55 g/mol
Exact Mass542.19
IUPAC Name2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(Br)cc1)N(c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C32H35BrN2O/c1-31(2,3)23-13-17-25(18-14-23)34-21-27-28(19-32(4,5)20-29(27)36)35(26-9-7-6-8-10-26)30(34)22-11-15-24(33)16-12-22/h6-18,30H,19-21H2,1-5H3
InChIKeyXJJUEFNEEIPSHN-UHFFFAOYSA-N
XLogP8.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.55
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one 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

7,7-Dimethyl-2-(4-methylphenyl)-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 168273170
2-(4-Bromophenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 141535147
2-(4-Bromophenyl)-7,7-dimethyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]-2,4,6,8-tetrahydroquinazolin-5-one
CID 162662556
7,7-Dimethyl-1,3-diphenyl-2-(4-propan-2-ylphenyl)-2,4,6,8-tetrahydroquinazolin-5-one
CID 162664049
2-(2-Bromophenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162664226
2-(4-Bromophenyl)-3-(4-chlorophenyl)-1-(4-fluorophenyl)-7,7-dimethyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162664820
2-(4-Bromophenyl)-1-(3-chlorophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162665105
2-(4-Bromophenyl)-7,7-dimethyl-3-naphthalen-2-yl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162667270
2-(3-Bromophenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162669614
2-(4-Tert-butylphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162670112
2,3-Bis(4-bromophenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162671223
2-(4-Bromophenyl)-3-(4-fluorophenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162672717

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one?
The IUPAC name of 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one (CID 162672702) is 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(Br)cc1)N(c1ccc(C(C)(C)C)cc1)C2.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one?
The InChIKey is XJJUEFNEEIPSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35BrN2O/c1-31(2,3)23-13-17-25(18-14-23)34-21-27-28(19-32(4,5)20-29(27)36)35(26-9-7-6-8-10-26)30(34)22-11-15-24(33)16-12-22/h6-18,30H,19-21H2,1-5H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one?
2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 543.55 g/mol, XLogP of 8.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-tert-butylphenyl)-7,7-dimethyl-1-phenyl-2,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 162672702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).