3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide

C23H17IN4O — CID 108794763

IUPAC3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccccc1I
InChIInChI=1S/C23H17IN4O/c24-16-8-2-3-9-17(16)25-21(29)13-14-28-20-12-6-1-7-15(20)22-23(28)27-19-11-5-4-10-18(19)26-22/h1-12H,13-14H2,(H,25,29)
InChIKeyZGZMJCHNSOULCL-UHFFFAOYSA-N
MW492.32 g/mol
LogP5.37
Rot. Bonds4

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

3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide (PubChem CID 108794763) has the molecular formula C23H17IN4O and a molecular weight of 492.32 g/mol. Its IUPAC name is 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide.

Molecular Properties

Compound Name3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
PubChem CID108794763
Molecular FormulaC23H17IN4O
Molecular Weight492.32 g/mol
Exact Mass492.04
IUPAC Name3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccccc1I
InChIInChI=1S/C23H17IN4O/c24-16-8-2-3-9-17(16)25-21(29)13-14-28-20-12-6-1-7-15(20)22-23(28)27-19-11-5-4-10-18(19)26-22/h1-12H,13-14H2,(H,25,29)
InChIKeyZGZMJCHNSOULCL-UHFFFAOYSA-N
XLogP5.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.32
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide 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

N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
CID 108744221
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806301
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108794823
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 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide?
The IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide (CID 108794763) is 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide.
What is the SMILES notation for 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide?
The canonical SMILES for 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide is O=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccccc1I.
What is the InChIKey of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide?
The InChIKey is ZGZMJCHNSOULCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17IN4O/c24-16-8-2-3-9-17(16)25-21(29)13-14-28-20-12-6-1-7-15(20)22-23(28)27-19-11-5-4-10-18(19)26-22/h1-12H,13-14H2,(H,25,29).
What are the key properties of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide?
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide has a molecular weight of 492.32 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide is sourced from PubChem (CID 108794763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).