7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one

C9H6ClFN2O — CID 11680094

IUPAC7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2cc(F)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C9H6ClFN2O/c1-4-9(14)13-7-2-5(10)6(11)3-8(7)12-4/h2-3H,1H3,(H,13,14)
InChIKeyINSYRGQDMRYFLZ-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.02
Rot. Bonds

About 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one

7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one (PubChem CID 11680094) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one
PubChem CID11680094
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2cc(F)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C9H6ClFN2O/c1-4-9(14)13-7-2-5(10)6(11)3-8(7)12-4/h2-3H,1H3,(H,13,14)
InChIKeyINSYRGQDMRYFLZ-UHFFFAOYSA-N
XLogP2.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one (CID 11680094) is 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one is Cc1nc2cc(F)c(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one?
The InChIKey is INSYRGQDMRYFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c1-4-9(14)13-7-2-5(10)6(11)3-8(7)12-4/h2-3H,1H3,(H,13,14).
What are the key properties of 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one?
7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one has a molecular weight of 212.61 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 11680094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).