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

C24H19N3O — CID 90681338

IUPAC4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5ccccc5)cc4n3n2)c1
InChIInChI=1S/C24H19N3O/c1-16-7-6-10-19(13-16)21-15-23-26(2)24(28)20-12-11-18(14-22(20)27(23)25-21)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyFVSDYGNIKYHISS-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.83
Rot. Bonds2

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

4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90681338) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90681338
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5ccccc5)cc4n3n2)c1
InChIInChI=1S/C24H19N3O/c1-16-7-6-10-19(13-16)21-15-23-26(2)24(28)20-12-11-18(14-22(20)27(23)25-21)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyFVSDYGNIKYHISS-UHFFFAOYSA-N
XLogP4.83
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one (CID 90681338) is 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one is Cc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5ccccc5)cc4n3n2)c1.
What is the InChIKey of 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is FVSDYGNIKYHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-16-7-6-10-19(13-16)21-15-23-26(2)24(28)20-12-11-18(14-22(20)27(23)25-21)17-8-4-3-5-9-17/h3-15H,1-2H3.
What are the key properties of 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 365.44 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylphenyl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90681338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).