2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline

C14H12ClN3 — CID 91461532

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline
SMILESCc1nn(-c2ccc3cccc(C)c3n2)cc1Cl
InChIInChI=1S/C14H12ClN3/c1-9-4-3-5-11-6-7-13(16-14(9)11)18-8-12(15)10(2)17-18/h3-8H,1-2H3
InChIKeyNEKRBAHVXOMTQV-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.69
Rot. Bonds1

About 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline

2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline (PubChem CID 91461532) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline
PubChem CID91461532
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline
SMILESCc1nn(-c2ccc3cccc(C)c3n2)cc1Cl
InChIInChI=1S/C14H12ClN3/c1-9-4-3-5-11-6-7-13(16-14(9)11)18-8-12(15)10(2)17-18/h3-8H,1-2H3
InChIKeyNEKRBAHVXOMTQV-UHFFFAOYSA-N
XLogP3.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline 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 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline (CID 91461532) is 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline is Cc1nn(-c2ccc3cccc(C)c3n2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline?
The InChIKey is NEKRBAHVXOMTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-4-3-5-11-6-7-13(16-14(9)11)18-8-12(15)10(2)17-18/h3-8H,1-2H3.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline?
2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline has a molecular weight of 257.72 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-8-methylquinoline is sourced from PubChem (CID 91461532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).