2-chloroethyl 2-quinolin-8-yloxyacetate

C13H12ClNO3 — CID 71408832

IUPAC2-chloroethyl 2-quinolin-8-yloxyacetate
SMILESO=C(COc1cccc2cccnc12)OCCCl
InChIInChI=1S/C13H12ClNO3/c14-6-8-17-12(16)9-18-11-5-1-3-10-4-2-7-15-13(10)11/h1-5,7H,6,8-9H2
InChIKeyDOQQOSVWPSENKG-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.40
Rot. Bonds5

About 2-chloroethyl 2-quinolin-8-yloxyacetate

2-chloroethyl 2-quinolin-8-yloxyacetate (PubChem CID 71408832) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloroethyl 2-quinolin-8-yloxyacetate.

Molecular Properties

Compound Name2-chloroethyl 2-quinolin-8-yloxyacetate
PubChem CID71408832
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-chloroethyl 2-quinolin-8-yloxyacetate
SMILESO=C(COc1cccc2cccnc12)OCCCl
InChIInChI=1S/C13H12ClNO3/c14-6-8-17-12(16)9-18-11-5-1-3-10-4-2-7-15-13(10)11/h1-5,7H,6,8-9H2
InChIKeyDOQQOSVWPSENKG-UHFFFAOYSA-N
XLogP2.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
2-quinolin-8-yloxyacetate
CID 6950984
(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate
CID 2395878
8-(6-chlorohexoxy)quinoline
CID 62228191
8-[2-(chloromethyl)prop-2-enoxy]quinoline
CID 103066009
8-(chloromethoxy)quinoline
CID 79531226
2-quinolin-8-yloxyethanamine
CID 17174906
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-methoxyacetate
CID 71320086
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-chlorophenyl)acetate
CID 127261125

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-quinolin-8-yloxyacetate?
The IUPAC name of 2-chloroethyl 2-quinolin-8-yloxyacetate (CID 71408832) is 2-chloroethyl 2-quinolin-8-yloxyacetate.
What is the SMILES notation for 2-chloroethyl 2-quinolin-8-yloxyacetate?
The canonical SMILES for 2-chloroethyl 2-quinolin-8-yloxyacetate is O=C(COc1cccc2cccnc12)OCCCl.
What is the InChIKey of 2-chloroethyl 2-quinolin-8-yloxyacetate?
The InChIKey is DOQQOSVWPSENKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c14-6-8-17-12(16)9-18-11-5-1-3-10-4-2-7-15-13(10)11/h1-5,7H,6,8-9H2.
What are the key properties of 2-chloroethyl 2-quinolin-8-yloxyacetate?
2-chloroethyl 2-quinolin-8-yloxyacetate has a molecular weight of 265.70 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-quinolin-8-yloxyacetate is sourced from PubChem (CID 71408832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).