(8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate

C12H8FN3O4 — CID 23206460

IUPAC(8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate
SMILESCc1c(OC(=O)O)nc2c(=O)[nH]c3ccc(F)cc3n12
InChIInChI=1S/C12H8FN3O4/c1-5-11(20-12(18)19)15-9-10(17)14-7-3-2-6(13)4-8(7)16(5)9/h2-4H,1H3,(H,14,17)(H,18,19)
InChIKeyRKIMLPLQYXSSAZ-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.68
Rot. Bonds1

About (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate

(8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate (PubChem CID 23206460) has the molecular formula C12H8FN3O4 and a molecular weight of 277.21 g/mol. Its IUPAC name is (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate
PubChem CID23206460
Molecular FormulaC12H8FN3O4
Molecular Weight277.21 g/mol
Exact Mass277.05
IUPAC Name(8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate
SMILESCc1c(OC(=O)O)nc2c(=O)[nH]c3ccc(F)cc3n12
InChIInChI=1S/C12H8FN3O4/c1-5-11(20-12(18)19)15-9-10(17)14-7-3-2-6(13)4-8(7)16(5)9/h2-4H,1H3,(H,14,17)(H,18,19)
InChIKeyRKIMLPLQYXSSAZ-UHFFFAOYSA-N
XLogP1.68
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate
CID 23206472
ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate
CID 23206474
8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
CID 18928142
1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84644450
ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 23206416
[8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl] ethyl carbonate
CID 23206487
6-fluoro-3-(6-fluoro-2-oxo-1H-quinoline-3-carbonyl)-1H-quinolin-2-one
CID 67008016
2-[2-(6-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
CID 106236115
(2,3-dioxo-1,4-dihydroquinoxalin-6-yl) hydrogen carbonate
CID 70508799
ethyl 7-fluoro-1-methyl-3-oxo-4H-quinoxalin-1-ium-2-carboxylate
CID 91191973
(3,6-difluoro-2-pyridinyl) hydrogen carbonate
CID 122446344
8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
CID 175939537

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate?
The IUPAC name of (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate (CID 23206460) is (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate.
What is the SMILES notation for (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate?
The canonical SMILES for (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate is Cc1c(OC(=O)O)nc2c(=O)[nH]c3ccc(F)cc3n12.
What is the InChIKey of (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate?
The InChIKey is RKIMLPLQYXSSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O4/c1-5-11(20-12(18)19)15-9-10(17)14-7-3-2-6(13)4-8(7)16(5)9/h2-4H,1H3,(H,14,17)(H,18,19).
What are the key properties of (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate?
(8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate has a molecular weight of 277.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) hydrogen carbonate is sourced from PubChem (CID 23206460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).