2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one

C23H16BrN3O — CID 90681342

IUPAC2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3cccc(Br)c3)cc12
InChIInChI=1S/C23H16BrN3O/c1-26-22-14-20(17-8-5-9-18(24)12-17)25-27(22)21-13-16(10-11-19(21)23(26)28)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyBHJZKMMKSOGEHO-UHFFFAOYSA-N
MW430.31 g/mol
LogP5.28
Rot. Bonds2

About 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one

2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90681342) has the molecular formula C23H16BrN3O and a molecular weight of 430.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90681342
Molecular FormulaC23H16BrN3O
Molecular Weight430.31 g/mol
Exact Mass429.05
IUPAC Name2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3cccc(Br)c3)cc12
InChIInChI=1S/C23H16BrN3O/c1-26-22-14-20(17-8-5-9-18(24)12-17)25-27(22)21-13-16(10-11-19(21)23(26)28)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyBHJZKMMKSOGEHO-UHFFFAOYSA-N
XLogP5.28
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one (CID 90681342) is 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3cccc(Br)c3)cc12.
What is the InChIKey of 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is BHJZKMMKSOGEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3O/c1-26-22-14-20(17-8-5-9-18(24)12-17)25-27(22)21-13-16(10-11-19(21)23(26)28)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 430.31 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90681342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).