2-chloro-4-phenylquinoline

C15H10ClN — CID 2306687

IUPAC2-chloro-4-phenylquinoline
SMILESClc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H10ClN/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H
InChIKeyOBMBUODDCOAJQP-UHFFFAOYSA-N
MW239.71 g/mol
LogP4.56
Rot. Bonds1

About 2-chloro-4-phenylquinoline

2-chloro-4-phenylquinoline (PubChem CID 2306687) has the molecular formula C15H10ClN and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-chloro-4-phenylquinoline.

Molecular Properties

Compound Name2-chloro-4-phenylquinoline
PubChem CID2306687
Molecular FormulaC15H10ClN
Molecular Weight239.71 g/mol
Exact Mass239.05
IUPAC Name2-chloro-4-phenylquinoline
SMILESClc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H10ClN/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H
InChIKeyOBMBUODDCOAJQP-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylquinoline?
The IUPAC name of 2-chloro-4-phenylquinoline (CID 2306687) is 2-chloro-4-phenylquinoline.
What is the SMILES notation for 2-chloro-4-phenylquinoline?
The canonical SMILES for 2-chloro-4-phenylquinoline is Clc1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-phenylquinoline?
The InChIKey is OBMBUODDCOAJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H.
What are the key properties of 2-chloro-4-phenylquinoline?
2-chloro-4-phenylquinoline has a molecular weight of 239.71 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylquinoline is sourced from PubChem (CID 2306687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).