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

C22H22N4O2 — CID 1256265

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C22H22N4O2/c1-4-10-19-23-18-14-9-8-13-17(18)21(27)25(19)20-15(2)24(3)26(22(20)28)16-11-6-5-7-12-16/h5-9,11-14H,4,10H2,1-3H3
InChIKeyKHDHETOFZVJKJC-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.14
Rot. Bonds4

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

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one (PubChem CID 1256265) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one
PubChem CID1256265
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C22H22N4O2/c1-4-10-19-23-18-14-9-8-13-17(18)21(27)25(19)20-15(2)24(3)26(22(20)28)16-11-6-5-7-12-16/h5-9,11-14H,4,10H2,1-3H3
InChIKeyKHDHETOFZVJKJC-UHFFFAOYSA-N
XLogP3.14
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methaqualone
CID 6292
Tryptanthrin
CID 73549
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
3-phenyl-3H-quinazolin-4-one
CID 785275
Arborine
CID 63123
2,3-Diphenyl-4(3H)-quinazolinone
CID 248040
3-Amino-2-benzyl-3,4-dihydroquinazolin-4-one
CID 561230
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
2-[4-(dimethylamino)phenyl]-4(3H)-quinazolinone
CID 135460530

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one (CID 1256265) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one?
The InChIKey is KHDHETOFZVJKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-10-19-23-18-14-9-8-13-17(18)21(27)25(19)20-15(2)24(3)26(22(20)28)16-11-6-5-7-12-16/h5-9,11-14H,4,10H2,1-3H3.
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-propylquinazolin-4-one has a molecular weight of 374.44 g/mol, XLogP of 3.14, 4 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-propylquinazolin-4-one is sourced from PubChem (CID 1256265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).