3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one

C25H19BrN2O — CID 10321167

IUPAC3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one
SMILESCc1ccc(C2Nc3cc4ccccc4cc3C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H19BrN2O/c1-16-6-8-17(9-7-16)24-27-23-15-19-5-3-2-4-18(19)14-22(23)25(29)28(24)21-12-10-20(26)11-13-21/h2-15,24,27H,1H3
InChIKeySIJVLBVBJVUGQW-UHFFFAOYSA-N
MW443.34 g/mol
LogP6.68
Rot. Bonds2

About 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one

3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one (PubChem CID 10321167) has the molecular formula C25H19BrN2O and a molecular weight of 443.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one
PubChem CID10321167
Molecular FormulaC25H19BrN2O
Molecular Weight443.34 g/mol
Exact Mass442.07
IUPAC Name3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one
SMILESCc1ccc(C2Nc3cc4ccccc4cc3C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H19BrN2O/c1-16-6-8-17(9-7-16)24-27-23-15-19-5-3-2-4-18(19)14-22(23)25(29)28(24)21-12-10-20(26)11-13-21/h2-15,24,27H,1H3
InChIKeySIJVLBVBJVUGQW-UHFFFAOYSA-N
XLogP6.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.34
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one (CID 10321167) is 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one is Cc1ccc(C2Nc3cc4ccccc4cc3C(=O)N2c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one?
The InChIKey is SIJVLBVBJVUGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2O/c1-16-6-8-17(9-7-16)24-27-23-15-19-5-3-2-4-18(19)14-22(23)25(29)28(24)21-12-10-20(26)11-13-21/h2-15,24,27H,1H3.
What are the key properties of 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one?
3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one has a molecular weight of 443.34 g/mol, XLogP of 6.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-methylphenyl)-1,2-dihydrobenzo[g]quinazolin-4-one is sourced from PubChem (CID 10321167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).