5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione

C18H18N4O3 — CID 2813286

IUPAC5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
SMILESO=C1c2nc3cc(-c4ccco4)[nH]n3c(=O)c2CN1C1CCCCC1
InChIInChI=1S/C18H18N4O3/c23-17-12-10-21(11-5-2-1-3-6-11)18(24)16(12)19-15-9-13(20-22(15)17)14-7-4-8-25-14/h4,7-9,11,20H,1-3,5-6,10H2
InChIKeyXQPAOJLXPIHZIK-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.57
Rot. Bonds2

About 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione

5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione (PubChem CID 2813286) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione.

Molecular Properties

Compound Name5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
PubChem CID2813286
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
SMILESO=C1c2nc3cc(-c4ccco4)[nH]n3c(=O)c2CN1C1CCCCC1
InChIInChI=1S/C18H18N4O3/c23-17-12-10-21(11-5-2-1-3-6-11)18(24)16(12)19-15-9-13(20-22(15)17)14-7-4-8-25-14/h4,7-9,11,20H,1-3,5-6,10H2
InChIKeyXQPAOJLXPIHZIK-UHFFFAOYSA-N
XLogP2.57
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione 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 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The IUPAC name of 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione (CID 2813286) is 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione.
What is the SMILES notation for 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The canonical SMILES for 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione is O=C1c2nc3cc(-c4ccco4)[nH]n3c(=O)c2CN1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The InChIKey is XQPAOJLXPIHZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-17-12-10-21(11-5-2-1-3-6-11)18(24)16(12)19-15-9-13(20-22(15)17)14-7-4-8-25-14/h4,7-9,11,20H,1-3,5-6,10H2.
What are the key properties of 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione has a molecular weight of 338.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione is sourced from PubChem (CID 2813286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).