2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one

C24H18N4O — CID 71740654

IUPAC2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one
SMILESCc1cc(-c2ccccc2)n(-c2nc3ccccc3c(=O)n2-c2ccccc2)n1
InChIInChI=1S/C24H18N4O/c1-17-16-22(18-10-4-2-5-11-18)28(26-17)24-25-21-15-9-8-14-20(21)23(29)27(24)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyOIRMUAHMYSUAQT-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.55
Rot. Bonds3

About 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one

2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one (PubChem CID 71740654) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one
PubChem CID71740654
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one
SMILESCc1cc(-c2ccccc2)n(-c2nc3ccccc3c(=O)n2-c2ccccc2)n1
InChIInChI=1S/C24H18N4O/c1-17-16-22(18-10-4-2-5-11-18)28(26-17)24-25-21-15-9-8-14-20(21)23(29)27(24)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyOIRMUAHMYSUAQT-UHFFFAOYSA-N
XLogP4.55
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one
CID 102437700
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
4-(3-methyl-5-phenylpyrazol-1-yl)pyridine
CID 12069784
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one (CID 71740654) is 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one is Cc1cc(-c2ccccc2)n(-c2nc3ccccc3c(=O)n2-c2ccccc2)n1.
What is the InChIKey of 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one?
The InChIKey is OIRMUAHMYSUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-17-16-22(18-10-4-2-5-11-18)28(26-17)24-25-21-15-9-8-14-20(21)23(29)27(24)19-12-6-3-7-13-19/h2-16H,1H3.
What are the key properties of 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one?
2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one has a molecular weight of 378.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 71740654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).