2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

C17H17N3O3 — CID 50991571

IUPAC2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccco1
InChIInChI=1S/C17H17N3O3/c1-10(2)20(3)16-15(14-5-4-8-23-14)18-12-7-6-11(17(21)22)9-13(12)19-16/h4-10H,1-3H3,(H,21,22)
InChIKeyNYGQXUZKDABDDD-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.43
Rot. Bonds4

About 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid (PubChem CID 50991571) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
PubChem CID50991571
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccco1
InChIInChI=1S/C17H17N3O3/c1-10(2)20(3)16-15(14-5-4-8-23-14)18-12-7-6-11(17(21)22)9-13(12)19-16/h4-10H,1-3H3,(H,21,22)
InChIKeyNYGQXUZKDABDDD-UHFFFAOYSA-N
XLogP3.43
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Di-furan-2-yl-quinoxaline-6-carboxylic acid
CID 774142
1-Cyclohexyl-2-(2-furyl)benzimidazole-5-carboxylic acid
CID 491108
1-Cyclohexyl-2-(furan-3-yl)-1H-benzimidazole-5-carboxylic acid
CID 491113
3-(Isopropyl(methyl)amino)-2-(3-methoxyphenyl)quinoxaline-6-carboxylic acid
CID 50991117
3-(Isopropyl(methyl)amino)-2-(4-methoxyphenyl)quinoxaline-6-carboxylic acid
CID 50991209
2-(Benzofuran-2-yl)-3-(isopropyl(methyl)amino)quinoxaline-6-carboxylic acid
CID 50991488
3-(2,3-Dihydrobenzo[b][1,4]oxazin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 67041932
3-(Isopropyl(methyl)amino)-2-(4-(trifluoromethoxy)phenyl)quinoxaline-6-carboxylic acid
CID 67042027
1-cyclopentyl-2-(furan-3-yl)-1H-benzo[d]imidazole-5-carboxylic acid
CID 44417020
1-Cyclohexyl-2-(3-furyl)-6-methyl-benzimidazole-5-carboxylic acid
CID 3012619
US11459307, Example 73
CID 68063087
1-Cyclohexyl-2-(4,5-dimethyl-furan-2-yl)-1H-benzoimidazole-5-carboxylic acid
CID 44386563

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid (CID 50991571) is 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The InChIKey is NYGQXUZKDABDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10(2)20(3)16-15(14-5-4-8-23-14)18-12-7-6-11(17(21)22)9-13(12)19-16/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 50991571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).