6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline

C21H23N4+ — CID 3620445

IUPAC6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline
SMILESc1ccc2nc3c(nc2c1)c1ccccc1n3CC[NH+]1CCCCC1
InChIInChI=1S/C21H22N4/c1-6-12-24(13-7-1)14-15-25-19-11-5-2-8-16(19)20-21(25)23-18-10-4-3-9-17(18)22-20/h2-5,8-11H,1,6-7,12-15H2/p+1
InChIKeyHFWVWBPZEAYHMA-UHFFFAOYSA-O
MW331.44 g/mol
LogP2.81
Rot. Bonds3

About 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline

6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline (PubChem CID 3620445) has the molecular formula C21H23N4+ and a molecular weight of 331.44 g/mol. Its IUPAC name is 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline
PubChem CID3620445
Molecular FormulaC21H23N4+
Molecular Weight331.44 g/mol
Exact Mass331.19
IUPAC Name6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline
SMILESc1ccc2nc3c(nc2c1)c1ccccc1n3CC[NH+]1CCCCC1
InChIInChI=1S/C21H22N4/c1-6-12-24(13-7-1)14-15-25-19-11-5-2-8-16(19)20-21(25)23-18-10-4-3-9-17(18)22-20/h2-5,8-11H,1,6-7,12-15H2/p+1
InChIKeyHFWVWBPZEAYHMA-UHFFFAOYSA-O
XLogP2.81
TPSA35.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline?
The IUPAC name of 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline (CID 3620445) is 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline is c1ccc2nc3c(nc2c1)c1ccccc1n3CC[NH+]1CCCCC1.
What is the InChIKey of 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline?
The InChIKey is HFWVWBPZEAYHMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N4/c1-6-12-24(13-7-1)14-15-25-19-11-5-2-8-16(19)20-21(25)23-18-10-4-3-9-17(18)22-20/h2-5,8-11H,1,6-7,12-15H2/p+1.
What are the key properties of 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline?
6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline has a molecular weight of 331.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-1-ium-1-ylethyl)indolo[3,2-b]quinoxaline is sourced from PubChem (CID 3620445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).