2-chloro-4-[(2-fluorophenyl)methoxy]quinoline

C16H11ClFNO — CID 42597518

IUPAC2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
SMILESFc1ccccc1COc1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H11ClFNO/c17-16-9-15(12-6-2-4-8-14(12)19-16)20-10-11-5-1-3-7-13(11)18/h1-9H,10H2
InChIKeyCDAFTYINKBRJCA-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.61
Rot. Bonds3

About 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline

2-chloro-4-[(2-fluorophenyl)methoxy]quinoline (PubChem CID 42597518) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline.

Molecular Properties

Compound Name2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
PubChem CID42597518
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
SMILESFc1ccccc1COc1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H11ClFNO/c17-16-9-15(12-6-2-4-8-14(12)19-16)20-10-11-5-1-3-7-13(11)18/h1-9H,10H2
InChIKeyCDAFTYINKBRJCA-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-bromophenyl)methoxy]-2-chloroquinoline
CID 42597758
2-chloro-4-[(2-fluorophenyl)methoxy]-5-methylpyridine
CID 83269019
2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide
CID 75511404
2-chloro-6-[(2-fluorophenyl)methoxy]pyridin-4-amine
CID 114070689
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907385
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
4-[(2-fluorophenyl)methoxy]-2-methylquinolin-8-ol
CID 66760610
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
3,5-dichloro-4-[(2-fluorophenyl)methoxy]-2,6-dimethylpyridine
CID 134064703
5-chloro-4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91687279
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline?
The IUPAC name of 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline (CID 42597518) is 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline.
What is the SMILES notation for 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline?
The canonical SMILES for 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline is Fc1ccccc1COc1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline?
The InChIKey is CDAFTYINKBRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-16-9-15(12-6-2-4-8-14(12)19-16)20-10-11-5-1-3-7-13(11)18/h1-9H,10H2.
What are the key properties of 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline?
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline has a molecular weight of 287.72 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-fluorophenyl)methoxy]quinoline is sourced from PubChem (CID 42597518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).