6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one

C11H12ClFN2O2 — CID 114089769

IUPAC6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
SMILESCOCCN1CC(=O)Nc2cc(F)c(Cl)cc21
InChIInChI=1S/C11H12ClFN2O2/c1-17-3-2-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeySOJFOCBVLTUKQZ-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.88
Rot. Bonds3

About 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one

6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 114089769) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
PubChem CID114089769
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
SMILESCOCCN1CC(=O)Nc2cc(F)c(Cl)cc21
InChIInChI=1S/C11H12ClFN2O2/c1-17-3-2-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeySOJFOCBVLTUKQZ-UHFFFAOYSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one (CID 114089769) is 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one is COCCN1CC(=O)Nc2cc(F)c(Cl)cc21.
What is the InChIKey of 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is SOJFOCBVLTUKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c1-17-3-2-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one?
6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 258.68 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 114089769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).