2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid

C20H18N4O3 — CID 108794724

IUPAC2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21)C(=O)O
InChIInChI=1S/C20H18N4O3/c1-12(20(26)27)21-17(25)10-11-24-16-9-5-2-6-13(16)18-19(24)23-15-8-4-3-7-14(15)22-18/h2-9,12H,10-11H2,1H3,(H,21,25)(H,26,27)
InChIKeyQOMNNQAJVKDAAB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.72
Rot. Bonds5

About 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid

2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid (PubChem CID 108794724) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
PubChem CID108794724
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21)C(=O)O
InChIInChI=1S/C20H18N4O3/c1-12(20(26)27)21-17(25)10-11-24-16-9-5-2-6-13(16)18-19(24)23-15-8-4-3-7-14(15)22-18/h2-9,12H,10-11H2,1H3,(H,21,25)(H,26,27)
InChIKeyQOMNNQAJVKDAAB-UHFFFAOYSA-N
XLogP2.72
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
CID 108794763
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794734
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794820
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide
CID 108726447
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
CID 108744221
3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 108794778

Frequently Asked Questions

What is the IUPAC name of 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid?
The IUPAC name of 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid (CID 108794724) is 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid?
The canonical SMILES for 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid is CC(NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21)C(=O)O.
What is the InChIKey of 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid?
The InChIKey is QOMNNQAJVKDAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12(20(26)27)21-17(25)10-11-24-16-9-5-2-6-13(16)18-19(24)23-15-8-4-3-7-14(15)22-18/h2-9,12H,10-11H2,1H3,(H,21,25)(H,26,27).
What are the key properties of 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid?
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid has a molecular weight of 362.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 108794724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).