1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid

C12H15N3O3 — CID 117031176

IUPAC1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
SMILESCC(N)CN1CC(=O)Nc2cc(C(=O)O)ccc21
InChIInChI=1S/C12H15N3O3/c1-7(13)5-15-6-11(16)14-9-4-8(12(17)18)2-3-10(9)15/h2-4,7H,5-6,13H2,1H3,(H,14,16)(H,17,18)
InChIKeySHEGNYYZUCQWEE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.49
Rot. Bonds3

About 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid

1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid (PubChem CID 117031176) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
PubChem CID117031176
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
SMILESCC(N)CN1CC(=O)Nc2cc(C(=O)O)ccc21
InChIInChI=1S/C12H15N3O3/c1-7(13)5-15-6-11(16)14-9-4-8(12(17)18)2-3-10(9)15/h2-4,7H,5-6,13H2,1H3,(H,14,16)(H,17,18)
InChIKeySHEGNYYZUCQWEE-UHFFFAOYSA-N
XLogP0.49
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylbutyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117006967
1-butyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117006964
1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 164652934
1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117031177
3-(6-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)-2-methylpropanoic acid
CID 117030953
4-(2-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030646
4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
CID 117006524
1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 117031201
4-(3,5-dioxopiperazin-1-yl)-3-fluorobenzoic acid
CID 66083166
4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
CID 117030686
4-(2-aminopropyl)piperazine-2,6-dione
CID 102689066
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-methylbenzoic acid
CID 66067764

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid (CID 117031176) is 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid is CC(N)CN1CC(=O)Nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is SHEGNYYZUCQWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(13)5-15-6-11(16)14-9-4-8(12(17)18)2-3-10(9)15/h2-4,7H,5-6,13H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 117031176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).