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

C24H19N3O2 — CID 72544263

IUPAC8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5ccccc5)nn4c3c2)cc1
InChIInChI=1S/C24H19N3O2/c1-26-23-15-21(17-6-4-3-5-7-17)25-27(23)22-14-18(10-13-20(22)24(26)28)16-8-11-19(29-2)12-9-16/h3-15H,1-2H3
InChIKeyPISIQPNNFBAWCG-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.53
Rot. Bonds3

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

8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 72544263) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID72544263
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5ccccc5)nn4c3c2)cc1
InChIInChI=1S/C24H19N3O2/c1-26-23-15-21(17-6-4-3-5-7-17)25-27(23)22-14-18(10-13-20(22)24(26)28)16-8-11-19(29-2)12-9-16/h3-15H,1-2H3
InChIKeyPISIQPNNFBAWCG-UHFFFAOYSA-N
XLogP4.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one (CID 72544263) is 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one is COc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5ccccc5)nn4c3c2)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is PISIQPNNFBAWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-26-23-15-21(17-6-4-3-5-7-17)25-27(23)22-14-18(10-13-20(22)24(26)28)16-8-11-19(29-2)12-9-16/h3-15H,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 381.44 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 72544263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).