2-chloro-6-methyl-3-phenylquinoline

C16H12ClN — CID 2781550

IUPAC2-chloro-6-methyl-3-phenylquinoline
SMILESCc1ccc2nc(Cl)c(-c3ccccc3)cc2c1
InChIInChI=1S/C16H12ClN/c1-11-7-8-15-13(9-11)10-14(16(17)18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyKVZXVKOSIBJSNI-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.86
Rot. Bonds1

About 2-chloro-6-methyl-3-phenylquinoline

2-chloro-6-methyl-3-phenylquinoline (PubChem CID 2781550) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-phenylquinoline.

Molecular Properties

Compound Name2-chloro-6-methyl-3-phenylquinoline
PubChem CID2781550
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name2-chloro-6-methyl-3-phenylquinoline
SMILESCc1ccc2nc(Cl)c(-c3ccccc3)cc2c1
InChIInChI=1S/C16H12ClN/c1-11-7-8-15-13(9-11)10-14(16(17)18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyKVZXVKOSIBJSNI-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-methyl-3-phenylquinoline 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-chloro-6-methyl-3-phenylquinoline?
The IUPAC name of 2-chloro-6-methyl-3-phenylquinoline (CID 2781550) is 2-chloro-6-methyl-3-phenylquinoline.
What is the SMILES notation for 2-chloro-6-methyl-3-phenylquinoline?
The canonical SMILES for 2-chloro-6-methyl-3-phenylquinoline is Cc1ccc2nc(Cl)c(-c3ccccc3)cc2c1.
What is the InChIKey of 2-chloro-6-methyl-3-phenylquinoline?
The InChIKey is KVZXVKOSIBJSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c1-11-7-8-15-13(9-11)10-14(16(17)18-15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-chloro-6-methyl-3-phenylquinoline?
2-chloro-6-methyl-3-phenylquinoline has a molecular weight of 253.73 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-phenylquinoline is sourced from PubChem (CID 2781550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).