6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline

C12H12BrN3 — CID 164944255

IUPAC6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline
SMILESCN1Cc2cn(C)nc2-c2cccc(Br)c21
InChIInChI=1S/C12H12BrN3/c1-15-6-8-7-16(2)14-11(8)9-4-3-5-10(13)12(9)15/h3-5,7H,6H2,1-2H3
InChIKeyZEXCEMREGWSTTF-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.80
Rot. Bonds

About 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline

6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline (PubChem CID 164944255) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline
PubChem CID164944255
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline
SMILESCN1Cc2cn(C)nc2-c2cccc(Br)c21
InChIInChI=1S/C12H12BrN3/c1-15-6-8-7-16(2)14-11(8)9-4-3-5-10(13)12(9)15/h3-5,7H,6H2,1-2H3
InChIKeyZEXCEMREGWSTTF-UHFFFAOYSA-N
XLogP2.80
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-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 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline?
The IUPAC name of 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline (CID 164944255) is 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline?
The canonical SMILES for 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline is CN1Cc2cn(C)nc2-c2cccc(Br)c21.
What is the InChIKey of 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline?
The InChIKey is ZEXCEMREGWSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-15-6-8-7-16(2)14-11(8)9-4-3-5-10(13)12(9)15/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline?
6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline has a molecular weight of 278.15 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 164944255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).