7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one

C14H7ClF2N2O — CID 175937083

IUPAC7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one
SMILESO=c1cnc2cc(-c3ccc(F)cc3F)c(Cl)cc2[nH]1
InChIInChI=1S/C14H7ClF2N2O/c15-10-5-13-12(18-6-14(20)19-13)4-9(10)8-2-1-7(16)3-11(8)17/h1-6H,(H,19,20)
InChIKeyNGIOCXLKADDDBA-UHFFFAOYSA-N
MW292.67 g/mol
LogP3.52
Rot. Bonds1

About 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one

7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one (PubChem CID 175937083) has the molecular formula C14H7ClF2N2O and a molecular weight of 292.67 g/mol. Its IUPAC name is 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one
PubChem CID175937083
Molecular FormulaC14H7ClF2N2O
Molecular Weight292.67 g/mol
Exact Mass292.02
IUPAC Name7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one
SMILESO=c1cnc2cc(-c3ccc(F)cc3F)c(Cl)cc2[nH]1
InChIInChI=1S/C14H7ClF2N2O/c15-10-5-13-12(18-6-14(20)19-13)4-9(10)8-2-1-7(16)3-11(8)17/h1-6H,(H,19,20)
InChIKeyNGIOCXLKADDDBA-UHFFFAOYSA-N
XLogP3.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one (CID 175937083) is 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one is O=c1cnc2cc(-c3ccc(F)cc3F)c(Cl)cc2[nH]1.
What is the InChIKey of 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one?
The InChIKey is NGIOCXLKADDDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O/c15-10-5-13-12(18-6-14(20)19-13)4-9(10)8-2-1-7(16)3-11(8)17/h1-6H,(H,19,20).
What are the key properties of 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one?
7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one has a molecular weight of 292.67 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 175937083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).