6-(2-chloroethoxy)-1H-quinolin-2-one

C11H10ClNO2 — CID 20540025

IUPAC6-(2-chloroethoxy)-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCl)ccc2[nH]1
InChIInChI=1S/C11H10ClNO2/c12-5-6-15-9-2-3-10-8(7-9)1-4-11(14)13-10/h1-4,7H,5-6H2,(H,13,14)
InChIKeyFNNGCPTUFDLXQJ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.15
Rot. Bonds3

About 6-(2-chloroethoxy)-1H-quinolin-2-one

6-(2-chloroethoxy)-1H-quinolin-2-one (PubChem CID 20540025) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-chloroethoxy)-1H-quinolin-2-one
PubChem CID20540025
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name6-(2-chloroethoxy)-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCl)ccc2[nH]1
InChIInChI=1S/C11H10ClNO2/c12-5-6-15-9-2-3-10-8(7-9)1-4-11(14)13-10/h1-4,7H,5-6H2,(H,13,14)
InChIKeyFNNGCPTUFDLXQJ-UHFFFAOYSA-N
XLogP2.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-1H-quinolin-2-one?
The IUPAC name of 6-(2-chloroethoxy)-1H-quinolin-2-one (CID 20540025) is 6-(2-chloroethoxy)-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-chloroethoxy)-1H-quinolin-2-one?
The canonical SMILES for 6-(2-chloroethoxy)-1H-quinolin-2-one is O=c1ccc2cc(OCCCl)ccc2[nH]1.
What is the InChIKey of 6-(2-chloroethoxy)-1H-quinolin-2-one?
The InChIKey is FNNGCPTUFDLXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-5-6-15-9-2-3-10-8(7-9)1-4-11(14)13-10/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of 6-(2-chloroethoxy)-1H-quinolin-2-one?
6-(2-chloroethoxy)-1H-quinolin-2-one has a molecular weight of 223.66 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-1H-quinolin-2-one is sourced from PubChem (CID 20540025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).