4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile

C20H17N5O2 — CID 71139276

IUPAC4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile
SMILESCOc1ccc(Nc2nc3cc(C#N)ccc3c3c(C)[nH]nc23)cc1OC
InChIInChI=1S/C20H17N5O2/c1-11-18-14-6-4-12(10-21)8-15(14)23-20(19(18)25-24-11)22-13-5-7-16(26-2)17(9-13)27-3/h4-9H,1-3H3,(H,22,23)(H,24,25)
InChIKeyVHUWJKVXAHUMCM-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.05
Rot. Bonds4

About 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile

4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile (PubChem CID 71139276) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile
PubChem CID71139276
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile
SMILESCOc1ccc(Nc2nc3cc(C#N)ccc3c3c(C)[nH]nc23)cc1OC
InChIInChI=1S/C20H17N5O2/c1-11-18-14-6-4-12(10-21)8-15(14)23-20(19(18)25-24-11)22-13-5-7-16(26-2)17(9-13)27-3/h4-9H,1-3H3,(H,22,23)(H,24,25)
InChIKeyVHUWJKVXAHUMCM-UHFFFAOYSA-N
XLogP4.05
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile 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 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile?
The IUPAC name of 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile (CID 71139276) is 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile is COc1ccc(Nc2nc3cc(C#N)ccc3c3c(C)[nH]nc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile?
The InChIKey is VHUWJKVXAHUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-11-18-14-6-4-12(10-21)8-15(14)23-20(19(18)25-24-11)22-13-5-7-16(26-2)17(9-13)27-3/h4-9H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile?
4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile has a molecular weight of 359.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)-1-methyl-2H-pyrazolo[3,4-c]quinoline-7-carbonitrile is sourced from PubChem (CID 71139276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).