8-[4-(2-fluorophenoxy)butoxy]quinoline

C19H18FNO2 — CID 4302402

IUPAC8-[4-(2-fluorophenoxy)butoxy]quinoline
SMILESFc1ccccc1OCCCCOc1cccc2cccnc12
InChIInChI=1S/C19H18FNO2/c20-16-9-1-2-10-17(16)22-13-3-4-14-23-18-11-5-7-15-8-6-12-21-19(15)18/h1-2,5-12H,3-4,13-14H2
InChIKeyNJFLHOUUJWFDOH-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.61
Rot. Bonds7

About 8-[4-(2-fluorophenoxy)butoxy]quinoline

8-[4-(2-fluorophenoxy)butoxy]quinoline (PubChem CID 4302402) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 8-[4-(2-fluorophenoxy)butoxy]quinoline.

Molecular Properties

Compound Name8-[4-(2-fluorophenoxy)butoxy]quinoline
PubChem CID4302402
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name8-[4-(2-fluorophenoxy)butoxy]quinoline
SMILESFc1ccccc1OCCCCOc1cccc2cccnc12
InChIInChI=1S/C19H18FNO2/c20-16-9-1-2-10-17(16)22-13-3-4-14-23-18-11-5-7-15-8-6-12-21-19(15)18/h1-2,5-12H,3-4,13-14H2
InChIKeyNJFLHOUUJWFDOH-UHFFFAOYSA-N
XLogP4.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(6-chlorohexoxy)quinoline
CID 62228191
2-quinolin-8-yloxyethanamine
CID 17174906
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
2-quinolin-8-yloxyethylhydrazine
CID 82126133
8-(chloromethoxy)quinoline
CID 79531226
8-(3-azidopropoxy)quinoline
CID 61396496
N-propyl-5-quinolin-8-yloxypentan-1-amine
CID 62484408
8-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2184547
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-fluorophenoxy)butoxy]quinoline?
The IUPAC name of 8-[4-(2-fluorophenoxy)butoxy]quinoline (CID 4302402) is 8-[4-(2-fluorophenoxy)butoxy]quinoline.
What is the SMILES notation for 8-[4-(2-fluorophenoxy)butoxy]quinoline?
The canonical SMILES for 8-[4-(2-fluorophenoxy)butoxy]quinoline is Fc1ccccc1OCCCCOc1cccc2cccnc12.
What is the InChIKey of 8-[4-(2-fluorophenoxy)butoxy]quinoline?
The InChIKey is NJFLHOUUJWFDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-16-9-1-2-10-17(16)22-13-3-4-14-23-18-11-5-7-15-8-6-12-21-19(15)18/h1-2,5-12H,3-4,13-14H2.
What are the key properties of 8-[4-(2-fluorophenoxy)butoxy]quinoline?
8-[4-(2-fluorophenoxy)butoxy]quinoline has a molecular weight of 311.36 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-fluorophenoxy)butoxy]quinoline is sourced from PubChem (CID 4302402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).