4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline

C16H11ClN4 — CID 22320203

IUPAC4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccncc2)c2nc3ccccc3c(Cl)c12
InChIInChI=1S/C16H11ClN4/c1-10-14-15(17)12-4-2-3-5-13(12)19-16(14)21(20-10)11-6-8-18-9-7-11/h2-9H,1H3
InChIKeyPTVHSHVTQFCFGJ-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.93
Rot. Bonds1

About 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline

4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline (PubChem CID 22320203) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline
PubChem CID22320203
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccncc2)c2nc3ccccc3c(Cl)c12
InChIInChI=1S/C16H11ClN4/c1-10-14-15(17)12-4-2-3-5-13(12)19-16(14)21(20-10)11-6-8-18-9-7-11/h2-9H,1H3
InChIKeyPTVHSHVTQFCFGJ-UHFFFAOYSA-N
XLogP3.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]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 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline?
The IUPAC name of 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline (CID 22320203) is 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline is Cc1nn(-c2ccncc2)c2nc3ccccc3c(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline?
The InChIKey is PTVHSHVTQFCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c1-10-14-15(17)12-4-2-3-5-13(12)19-16(14)21(20-10)11-6-8-18-9-7-11/h2-9H,1H3.
What are the key properties of 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline?
4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline has a molecular weight of 294.75 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 22320203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).