2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline

C16H20N4 — CID 115314777

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCC2CCC(C1)N2
InChIInChI=1S/C16H20N4/c1-11-16(19-15-5-3-2-4-14(15)17-11)20-9-8-12-6-7-13(10-20)18-12/h2-5,12-13,18H,6-10H2,1H3
InChIKeyCKWWCMOCUDWQDY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.27
Rot. Bonds1

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline (PubChem CID 115314777) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline
PubChem CID115314777
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCC2CCC(C1)N2
InChIInChI=1S/C16H20N4/c1-11-16(19-15-5-3-2-4-14(15)17-11)20-9-8-12-6-7-13(10-20)18-12/h2-5,12-13,18H,6-10H2,1H3
InChIKeyCKWWCMOCUDWQDY-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline (CID 115314777) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CCC2CCC(C1)N2.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline?
The InChIKey is CKWWCMOCUDWQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-16(19-15-5-3-2-4-14(15)17-11)20-9-8-12-6-7-13(10-20)18-12/h2-5,12-13,18H,6-10H2,1H3.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline has a molecular weight of 268.36 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline is sourced from PubChem (CID 115314777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).