4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one

C23H17N3O — CID 90643955

IUPAC4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C23H17N3O/c1-25-22-15-20(17-10-6-3-7-11-17)24-26(22)21-14-18(12-13-19(21)23(25)27)16-8-4-2-5-9-16/h2-15H,1H3
InChIKeyDGKIZEFUZLOZHA-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.52
Rot. Bonds2

About 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one

4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90643955) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90643955
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C23H17N3O/c1-25-22-15-20(17-10-6-3-7-11-17)24-26(22)21-14-18(12-13-19(21)23(25)27)16-8-4-2-5-9-16/h2-15H,1H3
InChIKeyDGKIZEFUZLOZHA-UHFFFAOYSA-N
XLogP4.52
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one (CID 90643955) is 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is DGKIZEFUZLOZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-25-22-15-20(17-10-6-3-7-11-17)24-26(22)21-14-18(12-13-19(21)23(25)27)16-8-4-2-5-9-16/h2-15H,1H3.
What are the key properties of 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one?
4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 351.41 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,8-diphenylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90643955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).