3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline

C26H23N3O2 — CID 15990642

IUPAC3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(C)cc23)cc1OC
InChIInChI=1S/C26H23N3O2/c1-16-5-9-19(10-6-16)29-26-20-13-17(2)7-11-22(20)27-15-21(26)25(28-29)18-8-12-23(30-3)24(14-18)31-4/h5-15H,1-4H3
InChIKeyIQZJPKYRZXXRCN-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.87
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline

3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 15990642) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
PubChem CID15990642
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(C)cc23)cc1OC
InChIInChI=1S/C26H23N3O2/c1-16-5-9-19(10-6-16)29-26-20-13-17(2)7-11-22(20)27-15-21(26)25(28-29)18-8-12-23(30-3)24(14-18)31-4/h5-15H,1-4H3
InChIKeyIQZJPKYRZXXRCN-UHFFFAOYSA-N
XLogP5.87
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline (CID 15990642) is 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline is COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(C)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is IQZJPKYRZXXRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-16-5-9-19(10-6-16)29-26-20-13-17(2)7-11-22(20)27-15-21(26)25(28-29)18-8-12-23(30-3)24(14-18)31-4/h5-15H,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 409.49 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-8-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).