2-(chloromethyl)-4-phenylquinoline

C16H12ClN — CID 70386210

IUPAC2-(chloromethyl)-4-phenylquinoline
SMILESClCc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C16H12ClN/c17-11-13-10-15(12-6-2-1-3-7-12)14-8-4-5-9-16(14)18-13/h1-10H,11H2
InChIKeyRSJDZRNLFQNMFU-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.64
Rot. Bonds2

About 2-(chloromethyl)-4-phenylquinoline

2-(chloromethyl)-4-phenylquinoline (PubChem CID 70386210) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-phenylquinoline
PubChem CID70386210
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name2-(chloromethyl)-4-phenylquinoline
SMILESClCc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C16H12ClN/c17-11-13-10-15(12-6-2-1-3-7-12)14-8-4-5-9-16(14)18-13/h1-10H,11H2
InChIKeyRSJDZRNLFQNMFU-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-phenylquinoline?
The IUPAC name of 2-(chloromethyl)-4-phenylquinoline (CID 70386210) is 2-(chloromethyl)-4-phenylquinoline.
What is the SMILES notation for 2-(chloromethyl)-4-phenylquinoline?
The canonical SMILES for 2-(chloromethyl)-4-phenylquinoline is ClCc1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(chloromethyl)-4-phenylquinoline?
The InChIKey is RSJDZRNLFQNMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c17-11-13-10-15(12-6-2-1-3-7-12)14-8-4-5-9-16(14)18-13/h1-10H,11H2.
What are the key properties of 2-(chloromethyl)-4-phenylquinoline?
2-(chloromethyl)-4-phenylquinoline has a molecular weight of 253.73 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-phenylquinoline is sourced from PubChem (CID 70386210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).