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

C21H20N4O3 — CID 108806279

IUPAC2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
SMILESCCC(NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21)C(=O)O
InChIInChI=1S/C21H20N4O3/c1-2-14(21(27)28)22-18(26)11-12-25-17-10-6-3-7-13(17)19-20(25)24-16-9-5-4-8-15(16)23-19/h3-10,14H,2,11-12H2,1H3,(H,22,26)(H,27,28)
InChIKeyJZZRVRGQKNJKOG-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.11
Rot. Bonds6

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

2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid (PubChem CID 108806279) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid.

Molecular Properties

Compound Name2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
PubChem CID108806279
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
SMILESCCC(NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21)C(=O)O
InChIInChI=1S/C21H20N4O3/c1-2-14(21(27)28)22-18(26)11-12-25-17-10-6-3-7-13(17)19-20(25)24-16-9-5-4-8-15(16)23-19/h3-10,14H,2,11-12H2,1H3,(H,22,26)(H,27,28)
InChIKeyJZZRVRGQKNJKOG-UHFFFAOYSA-N
XLogP3.11
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794734
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
CID 108794763
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
CID 108744221
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid?
The IUPAC name of 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid (CID 108806279) is 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid.
What is the SMILES notation for 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid?
The canonical SMILES for 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid is CCC(NC(=O)CCn1c2ccccc2c2nc3ccccc3nc21)C(=O)O.
What is the InChIKey of 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid?
The InChIKey is JZZRVRGQKNJKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-14(21(27)28)22-18(26)11-12-25-17-10-6-3-7-13(17)19-20(25)24-16-9-5-4-8-15(16)23-19/h3-10,14H,2,11-12H2,1H3,(H,22,26)(H,27,28).
What are the key properties of 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid?
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid has a molecular weight of 376.42 g/mol, XLogP of 3.11, 6 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)butanoic acid is sourced from PubChem (CID 108806279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).