N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

C21H21N5O2 — CID 108794820

IUPACN-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESO=CNCCCNC(=O)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C21H21N5O2/c27-14-22-11-5-12-23-19(28)10-13-26-18-9-4-1-6-15(18)20-21(26)25-17-8-3-2-7-16(17)24-20/h1-4,6-9,14H,5,10-13H2,(H,22,27)(H,23,28)
InChIKeyCQLHNJLYWNJQOO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.38
Rot. Bonds8

About N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (PubChem CID 108794820) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
PubChem CID108794820
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESO=CNCCCNC(=O)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C21H21N5O2/c27-14-22-11-5-12-23-19(28)10-13-26-18-9-4-1-6-15(18)20-21(26)25-17-8-3-2-7-16(17)24-20/h1-4,6-9,14H,5,10-13H2,(H,22,27)(H,23,28)
InChIKeyCQLHNJLYWNJQOO-UHFFFAOYSA-N
XLogP2.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide
CID 108726447
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
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510
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
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
CID 108744221

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The IUPAC name of N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (CID 108794820) is N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.
What is the SMILES notation for N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The canonical SMILES for N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is O=CNCCCNC(=O)CCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The InChIKey is CQLHNJLYWNJQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-14-22-11-5-12-23-19(28)10-13-26-18-9-4-1-6-15(18)20-21(26)25-17-8-3-2-7-16(17)24-20/h1-4,6-9,14H,5,10-13H2,(H,22,27)(H,23,28).
What are the key properties of N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide has a molecular weight of 375.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is sourced from PubChem (CID 108794820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).