3-(4-chlorophenoxy)-1-methylquinoxalin-2-one

C15H11ClN2O2 — CID 1471094

IUPAC3-(4-chlorophenoxy)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(Oc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C15H11ClN2O2/c1-18-13-5-3-2-4-12(13)17-14(15(18)19)20-11-8-6-10(16)7-9-11/h2-9H,1H3
InChIKeyWWEVKUYXXQRUQM-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.38
Rot. Bonds2

About 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one

3-(4-chlorophenoxy)-1-methylquinoxalin-2-one (PubChem CID 1471094) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-methylquinoxalin-2-one
PubChem CID1471094
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-(4-chlorophenoxy)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(Oc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C15H11ClN2O2/c1-18-13-5-3-2-4-12(13)17-14(15(18)19)20-11-8-6-10(16)7-9-11/h2-9H,1H3
InChIKeyWWEVKUYXXQRUQM-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one?
The IUPAC name of 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one (CID 1471094) is 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one?
The canonical SMILES for 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one is Cn1c(=O)c(Oc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one?
The InChIKey is WWEVKUYXXQRUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-18-13-5-3-2-4-12(13)17-14(15(18)19)20-11-8-6-10(16)7-9-11/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one?
3-(4-chlorophenoxy)-1-methylquinoxalin-2-one has a molecular weight of 286.72 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-methylquinoxalin-2-one is sourced from PubChem (CID 1471094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).