2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid

C11H11FN2O3 — CID 84629074

IUPAC2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
SMILESCN1c2ccc(F)cc2NC(=O)C1CC(=O)O
InChIInChI=1S/C11H11FN2O3/c1-14-8-3-2-6(12)4-7(8)13-11(17)9(14)5-10(15)16/h2-4,9H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyZHORJMUKKFLTGF-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.06
Rot. Bonds2

About 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid

2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid (PubChem CID 84629074) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
PubChem CID84629074
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
SMILESCN1c2ccc(F)cc2NC(=O)C1CC(=O)O
InChIInChI=1S/C11H11FN2O3/c1-14-8-3-2-6(12)4-7(8)13-11(17)9(14)5-10(15)16/h2-4,9H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyZHORJMUKKFLTGF-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-tert-butyl-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84642262
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84627682
4-(2-chloroacetyl)-7-fluoro-3,3-dimethyl-1H-quinoxalin-2-one
CID 52988151
2-(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-5-yl)acetic acid
CID 82389067
6-fluoro-2,3-dimethyl-1,2-dihydrobenzimidazole
CID 143791646
7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
2-(2-ethyl-3-oxopiperazin-1-yl)-5-fluorobenzaldehyde
CID 55217306
6-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571897
6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 130943924
2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
CID 83870307
1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 82392206
7-fluoro-2,3,4-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84619291

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid (CID 84629074) is 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid is CN1c2ccc(F)cc2NC(=O)C1CC(=O)O.
What is the InChIKey of 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The InChIKey is ZHORJMUKKFLTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-14-8-3-2-6(12)4-7(8)13-11(17)9(14)5-10(15)16/h2-4,9H,5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid has a molecular weight of 238.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid is sourced from PubChem (CID 84629074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).