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

C23H16ClN3O — CID 90681345

IUPAC2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H16ClN3O/c1-26-22-14-20(16-7-10-18(24)11-8-16)25-27(22)21-13-17(9-12-19(21)23(26)28)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyUNYLDJAMFBNGAV-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.17
Rot. Bonds2

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

2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90681345) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90681345
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H16ClN3O/c1-26-22-14-20(16-7-10-18(24)11-8-16)25-27(22)21-13-17(9-12-19(21)23(26)28)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyUNYLDJAMFBNGAV-UHFFFAOYSA-N
XLogP5.17
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one (CID 90681345) is 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is UNYLDJAMFBNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c1-26-22-14-20(16-7-10-18(24)11-8-16)25-27(22)21-13-17(9-12-19(21)23(26)28)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one?
2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 385.85 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90681345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).