1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline

C26H22N4O2 — CID 171775666

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc4c(c3)CNC4)c3c2cnc2ccccc23)cc1OC
InChIInChI=1S/C26H22N4O2/c1-31-23-10-8-16(12-24(23)32-2)25-21-15-28-22-6-4-3-5-20(22)26(21)30(29-25)19-9-7-17-13-27-14-18(17)11-19/h3-12,15,27H,13-14H2,1-2H3
InChIKeyHKYGFGXQQUIISJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.86
Rot. Bonds4

About 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline

1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline (PubChem CID 171775666) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline
PubChem CID171775666
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc4c(c3)CNC4)c3c2cnc2ccccc23)cc1OC
InChIInChI=1S/C26H22N4O2/c1-31-23-10-8-16(12-24(23)32-2)25-21-15-28-22-6-4-3-5-20(22)26(21)30(29-25)19-9-7-17-13-27-14-18(17)11-19/h3-12,15,27H,13-14H2,1-2H3
InChIKeyHKYGFGXQQUIISJ-UHFFFAOYSA-N
XLogP4.86
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline (CID 171775666) is 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline is COc1ccc(-c2nn(-c3ccc4c(c3)CNC4)c3c2cnc2ccccc23)cc1OC.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline?
The InChIKey is HKYGFGXQQUIISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-31-23-10-8-16(12-24(23)32-2)25-21-15-28-22-6-4-3-5-20(22)26(21)30(29-25)19-9-7-17-13-27-14-18(17)11-19/h3-12,15,27H,13-14H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline?
1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline has a molecular weight of 422.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)-3-(3,4-dimethoxyphenyl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 171775666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).