methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate

C18H24N2O6 — CID 163824225

IUPACmethyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate
SMILESCCC(O)C(O)C(O)Cn1c(=O)c(C(=O)OC)nc2cc(C)c(C)cc21
InChIInChI=1S/C18H24N2O6/c1-5-13(21)16(23)14(22)8-20-12-7-10(3)9(2)6-11(12)19-15(17(20)24)18(25)26-4/h6-7,13-14,16,21-23H,5,8H2,1-4H3
InChIKeySLLFTGFUXKGHPX-UHFFFAOYSA-N
MW364.40 g/mol
LogP0.29
Rot. Bonds6

About methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate

methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate (PubChem CID 163824225) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate
PubChem CID163824225
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Namemethyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate
SMILESCCC(O)C(O)C(O)Cn1c(=O)c(C(=O)OC)nc2cc(C)c(C)cc21
InChIInChI=1S/C18H24N2O6/c1-5-13(21)16(23)14(22)8-20-12-7-10(3)9(2)6-11(12)19-15(17(20)24)18(25)26-4/h6-7,13-14,16,21-23H,5,8H2,1-4H3
InChIKeySLLFTGFUXKGHPX-UHFFFAOYSA-N
XLogP0.29
TPSA121.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate with MolForge

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Related Compounds

N,4-diethyl-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide
CID 53016085
6,7-dimethyl-3-(1,3,4-oxadiazol-2-yl)-1-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]quinoxalin-2-one
CID 146659043
3-[4-[7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-3-yl]-4-oxobutanoyl]-7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
CID 162472453
6,7-dimethyl-3-(1-methyltetrazol-5-yl)-1-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]quinoxalin-2-one
CID 146659034
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione;propanoic acid
CID 87438252
[7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-3-yl] pentanoate
CID 141209014
6,7-dimethyl-3-oxo-4-[(2R,3S,4S)-2,4,5-tris(methoxymethoxy)-3-methylpentyl]quinoxaline-2-carboxylic acid
CID 163901396
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
CID 101215328
CID 174938559
CID 174938559
calcium;7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione;hydride
CID 173150978
sodium;7,8-dimethyl-2-oxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]benzo[g]pteridin-4-olate;dihydrate
CID 131675246
(2R,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentanoic acid
CID 102092133

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate?
The IUPAC name of methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate (CID 163824225) is methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate.
What is the SMILES notation for methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate?
The canonical SMILES for methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate is CCC(O)C(O)C(O)Cn1c(=O)c(C(=O)OC)nc2cc(C)c(C)cc21.
What is the InChIKey of methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate?
The InChIKey is SLLFTGFUXKGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-5-13(21)16(23)14(22)8-20-12-7-10(3)9(2)6-11(12)19-15(17(20)24)18(25)26-4/h6-7,13-14,16,21-23H,5,8H2,1-4H3.
What are the key properties of methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate?
methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate is sourced from PubChem (CID 163824225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).