3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C26H31N5O — CID 108794778

IUPAC3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)CC(C)(C)N1
InChIInChI=1S/C26H31N5O/c1-25(2)15-17(16-26(3,4)30-25)27-22(32)13-14-31-21-12-8-5-9-18(21)23-24(31)29-20-11-7-6-10-19(20)28-23/h5-12,17,30H,13-16H2,1-4H3,(H,27,32)
InChIKeyZPIZPZLPAIVGMV-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.55
Rot. Bonds4

About 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 108794778) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID108794778
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)CC(C)(C)N1
InChIInChI=1S/C26H31N5O/c1-25(2)15-17(16-26(3,4)30-25)27-22(32)13-14-31-21-12-8-5-9-18(21)23-24(31)29-20-11-7-6-10-19(20)28-23/h5-12,17,30H,13-16H2,1-4H3,(H,27,32)
InChIKeyZPIZPZLPAIVGMV-UHFFFAOYSA-N
XLogP4.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 108794778) is 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC1(C)CC(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)CC(C)(C)N1.
What is the InChIKey of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is ZPIZPZLPAIVGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-25(2)15-17(16-26(3,4)30-25)27-22(32)13-14-31-21-12-8-5-9-18(21)23-24(31)29-20-11-7-6-10-19(20)28-23/h5-12,17,30H,13-16H2,1-4H3,(H,27,32).
What are the key properties of 3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-indolo[3,2-b]quinoxalin-6-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 429.57 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 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-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 108794778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).