8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline

C19H18ClNO3 — CID 2284547

IUPAC8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
SMILESClc1cccc(OCCOCCOc2cccc3cccnc23)c1
InChIInChI=1S/C19H18ClNO3/c20-16-6-2-7-17(14-16)23-12-10-22-11-13-24-18-8-1-4-15-5-3-9-21-19(15)18/h1-9,14H,10-13H2
InChIKeyQWJMVJUVAMFVOX-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.36
Rot. Bonds8

About 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline

8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline (PubChem CID 2284547) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline.

Molecular Properties

Compound Name8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
PubChem CID2284547
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
SMILESClc1cccc(OCCOCCOc2cccc3cccnc23)c1
InChIInChI=1S/C19H18ClNO3/c20-16-6-2-7-17(14-16)23-12-10-22-11-13-24-18-8-1-4-15-5-3-9-21-19(15)18/h1-9,14H,10-13H2
InChIKeyQWJMVJUVAMFVOX-UHFFFAOYSA-N
XLogP4.36
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
CID 2993304
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
8-(6-chlorohexoxy)quinoline
CID 62228191
2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617759
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
2-quinolin-8-yloxyethanamine
CID 17174906
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
8-(chloromethoxy)quinoline
CID 79531226

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline?
The IUPAC name of 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline (CID 2284547) is 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline.
What is the SMILES notation for 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline?
The canonical SMILES for 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline is Clc1cccc(OCCOCCOc2cccc3cccnc23)c1.
What is the InChIKey of 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline?
The InChIKey is QWJMVJUVAMFVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-16-6-2-7-17(14-16)23-12-10-22-11-13-24-18-8-1-4-15-5-3-9-21-19(15)18/h1-9,14H,10-13H2.
What are the key properties of 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline?
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline has a molecular weight of 343.81 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline is sourced from PubChem (CID 2284547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).