2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C26H25N3O — CID 4860207

IUPAC2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccc(C(C)C)cc1)C3
InChIInChI=1S/C26H25N3O/c1-16(2)18-9-11-19(12-10-18)21-13-23-22(24(30)14-21)15-27-26-25(17(3)28-29(23)26)20-7-5-4-6-8-20/h4-12,15-16,21H,13-14H2,1-3H3
InChIKeyOJXFPICAKRLPLM-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.74
Rot. Bonds3

About 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 4860207) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID4860207
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccc(C(C)C)cc1)C3
InChIInChI=1S/C26H25N3O/c1-16(2)18-9-11-19(12-10-18)21-13-23-22(24(30)14-21)15-27-26-25(17(3)28-29(23)26)20-7-5-4-6-8-20/h4-12,15-16,21H,13-14H2,1-3H3
InChIKeyOJXFPICAKRLPLM-UHFFFAOYSA-N
XLogP5.74
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 4860207) is 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccc(C(C)C)cc1)C3.
What is the InChIKey of 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is OJXFPICAKRLPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-16(2)18-9-11-19(12-10-18)21-13-23-22(24(30)14-21)15-27-26-25(17(3)28-29(23)26)20-7-5-4-6-8-20/h4-12,15-16,21H,13-14H2,1-3H3.
What are the key properties of 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 395.51 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 4860207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).