6,7-difluoro-3-propyl-1H-quinoxalin-2-one

C11H10F2N2O — CID 10537083

IUPAC6,7-difluoro-3-propyl-1H-quinoxalin-2-one
SMILESCCCc1nc2cc(F)c(F)cc2[nH]c1=O
InChIInChI=1S/C11H10F2N2O/c1-2-3-8-11(16)15-10-5-7(13)6(12)4-9(10)14-8/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyUZBUNGOSACJUMR-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.15
Rot. Bonds2

About 6,7-difluoro-3-propyl-1H-quinoxalin-2-one

6,7-difluoro-3-propyl-1H-quinoxalin-2-one (PubChem CID 10537083) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 6,7-difluoro-3-propyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-propyl-1H-quinoxalin-2-one
PubChem CID10537083
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name6,7-difluoro-3-propyl-1H-quinoxalin-2-one
SMILESCCCc1nc2cc(F)c(F)cc2[nH]c1=O
InChIInChI=1S/C11H10F2N2O/c1-2-3-8-11(16)15-10-5-7(13)6(12)4-9(10)14-8/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyUZBUNGOSACJUMR-UHFFFAOYSA-N
XLogP2.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one
CID 90101779
ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one
CID 168995296
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
CID 59995572
6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874558
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336897
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336878
7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one
CID 11680094
5,6-difluoro-2-heptan-3-yl-1H-benzimidazole
CID 63399395
5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
CID 175083308
6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
CID 22341125
5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
CID 82336660

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-propyl-1H-quinoxalin-2-one?
The IUPAC name of 6,7-difluoro-3-propyl-1H-quinoxalin-2-one (CID 10537083) is 6,7-difluoro-3-propyl-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-3-propyl-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-3-propyl-1H-quinoxalin-2-one is CCCc1nc2cc(F)c(F)cc2[nH]c1=O.
What is the InChIKey of 6,7-difluoro-3-propyl-1H-quinoxalin-2-one?
The InChIKey is UZBUNGOSACJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-2-3-8-11(16)15-10-5-7(13)6(12)4-9(10)14-8/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 6,7-difluoro-3-propyl-1H-quinoxalin-2-one?
6,7-difluoro-3-propyl-1H-quinoxalin-2-one has a molecular weight of 224.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-propyl-1H-quinoxalin-2-one is sourced from PubChem (CID 10537083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).