3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one

C25H20N4O2 — CID 1366097

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one
SMILESCc1c(-n2c(-c3ccccc3)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H20N4O2/c1-17-22(25(31)29(27(17)2)19-13-7-4-8-14-19)28-23(18-11-5-3-6-12-18)26-21-16-10-9-15-20(21)24(28)30/h3-16H,1-2H3
InChIKeyMKUJBUYVYUATPM-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.85
Rot. Bonds3

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one (PubChem CID 1366097) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one
PubChem CID1366097
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one
SMILESCc1c(-n2c(-c3ccccc3)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H20N4O2/c1-17-22(25(31)29(27(17)2)19-13-7-4-8-14-19)28-23(18-11-5-3-6-12-18)26-21-16-10-9-15-20(21)24(28)30/h3-16H,1-2H3
InChIKeyMKUJBUYVYUATPM-UHFFFAOYSA-N
XLogP3.85
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methaqualone
CID 6292
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
Arborine
CID 63123
2,3-Diphenyl-4(3H)-quinazolinone
CID 248040
2-[4-(dimethylamino)phenyl]-4(3H)-quinazolinone
CID 135460530
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
2-amino-1-N,4-N-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 413631
4-oxo-N-[[3-[4-[2-(5-oxo-1,2-dihydropyrazol-3-yl)acetyl]piperazin-1-yl]phenyl]methyl]-3H-quinazoline-2-carboxamide
CID 136054484
3-Phenethyl-2-phenyl-3H-quinazolin-4-one
CID 947434
N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595034
N,N-diethyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595035
3-(Diphenylamino)-2-methyl-4(3H)-quinazolinone
CID 597833

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one (CID 1366097) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one is Cc1c(-n2c(-c3ccccc3)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one?
The InChIKey is MKUJBUYVYUATPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17-22(25(31)29(27(17)2)19-13-7-4-8-14-19)28-23(18-11-5-3-6-12-18)26-21-16-10-9-15-20(21)24(28)30/h3-16H,1-2H3.
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one has a molecular weight of 408.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylquinazolin-4-one is sourced from PubChem (CID 1366097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).