1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid

C13H17N3O3 — CID 117031201

IUPAC1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid
SMILESCC(N)CN1C(=O)CN(C)c2cc(C(=O)O)ccc21
InChIInChI=1S/C13H17N3O3/c1-8(14)6-16-10-4-3-9(13(18)19)5-11(10)15(2)7-12(16)17/h3-5,8H,6-7,14H2,1-2H3,(H,18,19)
InChIKeyAFRPUSJTIKGCGN-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.51
Rot. Bonds3

About 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid

1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid (PubChem CID 117031201) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid
PubChem CID117031201
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid
SMILESCC(N)CN1C(=O)CN(C)c2cc(C(=O)O)ccc21
InChIInChI=1S/C13H17N3O3/c1-8(14)6-16-10-4-3-9(13(18)19)5-11(10)15(2)7-12(16)17/h3-5,8H,6-7,14H2,1-2H3,(H,18,19)
InChIKeyAFRPUSJTIKGCGN-UHFFFAOYSA-N
XLogP0.51
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117031176
4-(2-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030646
4-methyl-1-(2-methylpropyl)-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007198
4-amino-3-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 82795949
1-butyl-2-oxo-4-[2-(4-propan-2-ylphenyl)sulfanylacetyl]-3H-quinoxaline-6-carboxylic acid
CID 134084760
4-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)butanoic acid
CID 117031007
1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 134084825
1-methyl-2-oxo-4-(2-sulfanylethyl)-3H-quinoxaline-6-carboxylic acid
CID 117030638
1-(2-aminoacetyl)-5-methyl-3,4-dihydro-2H-1,5-benzodiazepine-7-carboxylic acid
CID 84639195
2-oxo-4-[(E)-3-phenylprop-2-enoyl]-1-(3-propan-2-yloxypropyl)-3H-quinoxaline-6-carboxylic acid
CID 134084897
2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
CID 102711222
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid?
The IUPAC name of 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid (CID 117031201) is 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid is CC(N)CN1C(=O)CN(C)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid?
The InChIKey is AFRPUSJTIKGCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(14)6-16-10-4-3-9(13(18)19)5-11(10)15(2)7-12(16)17/h3-5,8H,6-7,14H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid?
1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 117031201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).