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

C25H22ClN3O3 — CID 66503619

IUPAC6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccc(-c2c(C)nn3cc4c(nc23)CC(c2ccc(Cl)cc2)CC4=O)cc1OC
InChIInChI=1S/C25H22ClN3O3/c1-14-24(16-6-9-22(31-2)23(12-16)32-3)25-27-20-10-17(15-4-7-18(26)8-5-15)11-21(30)19(20)13-29(25)28-14/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyZRWLPSAWQLLCBP-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.29
Rot. Bonds4

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

6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 66503619) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID66503619
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC Name6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccc(-c2c(C)nn3cc4c(nc23)CC(c2ccc(Cl)cc2)CC4=O)cc1OC
InChIInChI=1S/C25H22ClN3O3/c1-14-24(16-6-9-22(31-2)23(12-16)32-3)25-27-20-10-17(15-4-7-18(26)8-5-15)11-21(30)19(20)13-29(25)28-14/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyZRWLPSAWQLLCBP-UHFFFAOYSA-N
XLogP5.29
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-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

3-(3,4-dimethoxyphenyl)-2-methyl-6-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504191
2-methyl-3-phenyl-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504011
6-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503874
3-(3,4-dimethoxyphenyl)-2-ethyl-6-(2-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503952
6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503569
(6R)-2-amino-6-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 27880750
(6R)-2-(4-chlorophenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 29100671
3-(4-methoxyphenyl)-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503689
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
2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503870
1-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16585107

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 66503619) is 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is COc1ccc(-c2c(C)nn3cc4c(nc23)CC(c2ccc(Cl)cc2)CC4=O)cc1OC.
What is the InChIKey of 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is ZRWLPSAWQLLCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-14-24(16-6-9-22(31-2)23(12-16)32-3)25-27-20-10-17(15-4-7-18(26)8-5-15)11-21(30)19(20)13-29(25)28-14/h4-9,12-13,17H,10-11H2,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 447.92 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 66503619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).