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

C24H20FN3O2 — CID 4901770

IUPAC3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOc1ccc(C2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1
InChIInChI=1S/C24H20FN3O2/c1-14-23(16-3-7-18(25)8-4-16)24-26-13-20-21(28(24)27-14)11-17(12-22(20)29)15-5-9-19(30-2)10-6-15/h3-10,13,17H,11-12H2,1-2H3
InChIKeyNCWVHMAMNWPEEY-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.77
Rot. Bonds3

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

3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 4901770) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID4901770
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOc1ccc(C2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1
InChIInChI=1S/C24H20FN3O2/c1-14-23(16-3-7-18(25)8-4-16)24-26-13-20-21(28(24)27-14)11-17(12-22(20)29)15-5-9-19(30-2)10-6-15/h3-10,13,17H,11-12H2,1-2H3
InChIKeyNCWVHMAMNWPEEY-UHFFFAOYSA-N
XLogP4.77
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-Methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 754768
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4892660
6-(4-Benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15957962
methyl 4-[[4-[7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]benzoate
CID 15958075
7-(4-methoxyphenyl)-2-(phenylamino)-7,8-dihydroquinazolin-5(6H)-one
CID 16490582
7-(3-Acrylamido phenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 117668361
2-(4-benzylpiperazin-1-yl)-7-(4-methoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 665593
8-(2-furyl)-2-methyl-3-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 667097
2-methyl-3,8-diphenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 3974222
6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4896838
3-(4-methoxyphenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16457439
N-(2-(4-fluorophenoxy)ethyl)-3-(4-isopropylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44579647

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 4901770) is 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is COc1ccc(C2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is NCWVHMAMNWPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-14-23(16-3-7-18(25)8-4-16)24-26-13-20-21(28(24)27-14)11-17(12-22(20)29)15-5-9-19(30-2)10-6-15/h3-10,13,17H,11-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 401.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 4901770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).