2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline

C20H27N5O2 — CID 53363932

IUPAC2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline
SMILESCC1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC(C)CC2)CC1
InChIInChI=1S/C20H27N5O2/c1-14-5-9-23(10-6-14)19-20(24-11-7-15(2)8-12-24)22-18-13-16(25(26)27)3-4-17(18)21-19/h3-4,13-15H,5-12H2,1-2H3
InChIKeyWGZNSXOHPNRXAQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.01
Rot. Bonds3

About 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline

2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline (PubChem CID 53363932) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline.

Molecular Properties

Compound Name2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline
PubChem CID53363932
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline
SMILESCC1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC(C)CC2)CC1
InChIInChI=1S/C20H27N5O2/c1-14-5-9-23(10-6-14)19-20(24-11-7-15(2)8-12-24)22-18-13-16(25(26)27)3-4-17(18)21-19/h3-4,13-15H,5-12H2,1-2H3
InChIKeyWGZNSXOHPNRXAQ-UHFFFAOYSA-N
XLogP4.01
TPSA75.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline?
The IUPAC name of 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline (CID 53363932) is 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline.
What is the SMILES notation for 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline?
The canonical SMILES for 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline is CC1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC(C)CC2)CC1.
What is the InChIKey of 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline?
The InChIKey is WGZNSXOHPNRXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-5-9-23(10-6-14)19-20(24-11-7-15(2)8-12-24)22-18-13-16(25(26)27)3-4-17(18)21-19/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline?
2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline has a molecular weight of 369.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylpiperidin-1-yl)-6-nitroquinoxaline is sourced from PubChem (CID 53363932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).