3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

C19H19N3O2 — CID 66503689

IUPAC3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccc(-c2c(C)nn3cc4c(nc23)CC(C)CC4=O)cc1
InChIInChI=1S/C19H19N3O2/c1-11-8-16-15(17(23)9-11)10-22-19(20-16)18(12(2)21-22)13-4-6-14(24-3)7-5-13/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUWOAGDWLKKOODY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.48
Rot. Bonds2

About 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 66503689) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID66503689
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccc(-c2c(C)nn3cc4c(nc23)CC(C)CC4=O)cc1
InChIInChI=1S/C19H19N3O2/c1-11-8-16-15(17(23)9-11)10-22-19(20-16)18(12(2)21-22)13-4-6-14(24-3)7-5-13/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUWOAGDWLKKOODY-UHFFFAOYSA-N
XLogP3.48
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503874
2-methyl-3-phenyl-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504011
3-(3,4-dimethoxyphenyl)-2-methyl-6-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504191
6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503619
6-(3-chlorophenyl)-2-ethyl-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503930
6-(3-chlorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503931
3-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one
CID 66503732
6-(2,4-dimethoxyphenyl)-2-(methoxymethyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503909
(6S)-6-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 29108906
2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503870
2-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 17035365
3-(3,4-dimethoxyphenyl)-2-ethyl-6-(2-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503952

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 66503689) is 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is COc1ccc(-c2c(C)nn3cc4c(nc23)CC(C)CC4=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is UWOAGDWLKKOODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-8-16-15(17(23)9-11)10-22-19(20-16)18(12(2)21-22)13-4-6-14(24-3)7-5-13/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 321.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 66503689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).