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

C26H25N3O5 — CID 66503966

IUPAC3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOc1cccc(-c2cnn3cc4c(nc23)CC(c2cc(OC)c(OC)c(OC)c2)CC4=O)c1
InChIInChI=1S/C26H25N3O5/c1-31-18-7-5-6-15(8-18)19-13-27-29-14-20-21(28-26(19)29)9-16(10-22(20)30)17-11-23(32-2)25(34-4)24(12-17)33-3/h5-8,11-14,16H,9-10H2,1-4H3
InChIKeyAVOHKBIKYQTQQL-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.34
Rot. Bonds6

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

3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 66503966) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID66503966
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOc1cccc(-c2cnn3cc4c(nc23)CC(c2cc(OC)c(OC)c(OC)c2)CC4=O)c1
InChIInChI=1S/C26H25N3O5/c1-31-18-7-5-6-15(8-18)19-13-27-29-14-20-21(28-26(19)29)9-16(10-22(20)30)17-11-23(32-2)25(34-4)24(12-17)33-3/h5-8,11-14,16H,9-10H2,1-4H3
InChIKeyAVOHKBIKYQTQQL-UHFFFAOYSA-N
XLogP4.34
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-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

2-methyl-3-phenyl-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504011
6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503569
6-(2,4-dimethoxyphenyl)-2-(methoxymethyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503909
3-(3-chlorophenyl)-6-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503780
6-(furan-2-yl)-2-(methoxymethyl)-3-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503779
6-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503874
6-(4-chlorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503579
6-(3-chlorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503931
2-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 17035365
(6R)-6-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 29108905
6-(3-chlorophenyl)-2-ethyl-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503930
(6R)-2-amino-6-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 27880750

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 66503966) is 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is COc1cccc(-c2cnn3cc4c(nc23)CC(c2cc(OC)c(OC)c(OC)c2)CC4=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is AVOHKBIKYQTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-31-18-7-5-6-15(8-18)19-13-27-29-14-20-21(28-26(19)29)9-16(10-22(20)30)17-11-23(32-2)25(34-4)24(12-17)33-3/h5-8,11-14,16H,9-10H2,1-4H3.
What are the key properties of 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 459.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 66503966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).