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

C20H20N4O2 — CID 108794841

IUPACN-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESCC(O)CNC(=O)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C20H20N4O2/c1-13(25)12-21-18(26)10-11-24-17-9-5-2-6-14(17)19-20(24)23-16-8-4-3-7-15(16)22-19/h2-9,13,25H,10-12H2,1H3,(H,21,26)
InChIKeyPZMYVQKCJMWNPB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.62
Rot. Bonds5

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

N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (PubChem CID 108794841) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
PubChem CID108794841
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESCC(O)CNC(=O)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C20H20N4O2/c1-13(25)12-21-18(26)10-11-24-17-9-5-2-6-14(17)19-20(24)23-16-8-4-3-7-15(16)22-19/h2-9,13,25H,10-12H2,1H3,(H,21,26)
InChIKeyPZMYVQKCJMWNPB-UHFFFAOYSA-N
XLogP2.62
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.62
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-(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-(2-indol-1-ylethyl)propanamide
CID 108726447
N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794820
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-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
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
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 N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The IUPAC name of N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (CID 108794841) is N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is CC(O)CNC(=O)CCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The InChIKey is PZMYVQKCJMWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(25)12-21-18(26)10-11-24-17-9-5-2-6-14(17)19-20(24)23-16-8-4-3-7-15(16)22-19/h2-9,13,25H,10-12H2,1H3,(H,21,26).
What are the key properties of N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide has a molecular weight of 348.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is sourced from PubChem (CID 108794841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).