3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide

C27H23N5O — CID 108726447

IUPAC3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCCn1ccc2ccccc21
InChIInChI=1S/C27H23N5O/c33-25(28-15-18-31-16-13-19-7-1-5-11-23(19)31)14-17-32-24-12-6-2-8-20(24)26-27(32)30-22-10-4-3-9-21(22)29-26/h1-13,16H,14-15,17-18H2,(H,28,33)
InChIKeyCSHPKZRIWFGCGE-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.90
Rot. Bonds6

About 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide

3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide (PubChem CID 108726447) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide
PubChem CID108726447
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCCn1ccc2ccccc21
InChIInChI=1S/C27H23N5O/c33-25(28-15-18-31-16-13-19-7-1-5-11-23(19)31)14-17-32-24-12-6-2-8-20(24)26-27(32)30-22-10-4-3-9-21(22)29-26/h1-13,16H,14-15,17-18H2,(H,28,33)
InChIKeyCSHPKZRIWFGCGE-UHFFFAOYSA-N
XLogP4.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794820
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
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
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370

Frequently Asked Questions

What is the IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide?
The IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide (CID 108726447) is 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide.
What is the SMILES notation for 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide?
The canonical SMILES for 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide is O=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCCn1ccc2ccccc21.
What is the InChIKey of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide?
The InChIKey is CSHPKZRIWFGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c33-25(28-15-18-31-16-13-19-7-1-5-11-23(19)31)14-17-32-24-12-6-2-8-20(24)26-27(32)30-22-10-4-3-9-21(22)29-26/h1-13,16H,14-15,17-18H2,(H,28,33).
What are the key properties of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide?
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide has a molecular weight of 433.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide is sourced from PubChem (CID 108726447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).