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

C23H18N4O — CID 72543798

IUPAC8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccc(N)cc3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C23H18N4O/c1-26-22-14-20(16-5-3-2-4-6-16)25-27(22)21-13-17(9-12-19(21)23(26)28)15-7-10-18(24)11-8-15/h2-14H,24H2,1H3
InChIKeyDZYSWFOEUVFBPC-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.10
Rot. Bonds2

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

8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 72543798) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID72543798
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccc(N)cc3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C23H18N4O/c1-26-22-14-20(16-5-3-2-4-6-16)25-27(22)21-13-17(9-12-19(21)23(26)28)15-7-10-18(24)11-8-15/h2-14H,24H2,1H3
InChIKeyDZYSWFOEUVFBPC-UHFFFAOYSA-N
XLogP4.10
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one (CID 72543798) is 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3ccc(N)cc3)cc2n2nc(-c3ccccc3)cc12.
What is the InChIKey of 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is DZYSWFOEUVFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-26-22-14-20(16-5-3-2-4-6-16)25-27(22)21-13-17(9-12-19(21)23(26)28)15-7-10-18(24)11-8-15/h2-14H,24H2,1H3.
What are the key properties of 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 366.42 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminophenyl)-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 72543798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).