2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one

C32H28BrClN2O — CID 162676530

IUPAC2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc3ccccc3c1)C(c1ccc(Br)cc1)N(c1ccc(Cl)cc1)C2
InChIInChI=1S/C32H28BrClN2O/c1-32(2)18-29-28(30(37)19-32)20-35(26-15-12-25(34)13-16-26)31(22-7-10-24(33)11-8-22)36(29)27-14-9-21-5-3-4-6-23(21)17-27/h3-17,31H,18-20H2,1-2H3
InChIKeyPJJLAXMXIIBMIE-UHFFFAOYSA-N
MW571.95 g/mol
LogP8.92
Rot. Bonds3

About 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one

2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 162676530) has the molecular formula C32H28BrClN2O and a molecular weight of 571.95 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one
PubChem CID162676530
Molecular FormulaC32H28BrClN2O
Molecular Weight571.95 g/mol
Exact Mass570.11
IUPAC Name2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc3ccccc3c1)C(c1ccc(Br)cc1)N(c1ccc(Cl)cc1)C2
InChIInChI=1S/C32H28BrClN2O/c1-32(2)18-29-28(30(37)19-32)20-35(26-15-12-25(34)13-16-26)31(22-7-10-24(33)11-8-22)36(29)27-14-9-21-5-3-4-6-23(21)17-27/h3-17,31H,18-20H2,1-2H3
InChIKeyPJJLAXMXIIBMIE-UHFFFAOYSA-N
XLogP8.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.95
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one?
The IUPAC name of 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one (CID 162676530) is 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one is CC1(C)CC(=O)C2=C(C1)N(c1ccc3ccccc3c1)C(c1ccc(Br)cc1)N(c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one?
The InChIKey is PJJLAXMXIIBMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28BrClN2O/c1-32(2)18-29-28(30(37)19-32)20-35(26-15-12-25(34)13-16-26)31(22-7-10-24(33)11-8-22)36(29)27-14-9-21-5-3-4-6-23(21)17-27/h3-17,31H,18-20H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one?
2-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 571.95 g/mol, XLogP of 8.92, 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-chlorophenyl)-7,7-dimethyl-1-naphthalen-2-yl-2,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 162676530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).