7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane

C17H20N4 — CID 143022371

IUPAC7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane
SMILESc1ccc2nc(CN3CCN4CCC45CCC35)cnc2c1
InChIInChI=1S/C17H20N4/c1-2-4-15-14(3-1)18-11-13(19-15)12-20-9-10-21-8-7-17(21)6-5-16(17)20/h1-4,11,16H,5-10,12H2
InChIKeyBOVCVNXVPNIGDQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds2

About 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane

7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane (PubChem CID 143022371) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane.

Molecular Properties

Compound Name7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane
PubChem CID143022371
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane
SMILESc1ccc2nc(CN3CCN4CCC45CCC35)cnc2c1
InChIInChI=1S/C17H20N4/c1-2-4-15-14(3-1)18-11-13(19-15)12-20-9-10-21-8-7-17(21)6-5-16(17)20/h1-4,11,16H,5-10,12H2
InChIKeyBOVCVNXVPNIGDQ-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane?
The IUPAC name of 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane (CID 143022371) is 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane.
What is the SMILES notation for 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane?
The canonical SMILES for 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane is c1ccc2nc(CN3CCN4CCC45CCC35)cnc2c1.
What is the InChIKey of 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane?
The InChIKey is BOVCVNXVPNIGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-4-15-14(3-1)18-11-13(19-15)12-20-9-10-21-8-7-17(21)6-5-16(17)20/h1-4,11,16H,5-10,12H2.
What are the key properties of 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane?
7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane has a molecular weight of 280.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane is sourced from PubChem (CID 143022371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).