2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione

C18H8N2O2 — CID 1085049

IUPAC2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione
SMILESO=c1c2ccccc2c2nc3c(=O)c4ccccc4c3nc12
InChIInChI=1S/C18H8N2O2/c21-17-11-7-3-1-5-9(11)13-15(17)20-14-10-6-2-4-8-12(10)18(22)16(14)19-13/h1-8H
InChIKeyTWOIPXRGHHSBQC-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.69
Rot. Bonds

About 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione

2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione (PubChem CID 1085049) has the molecular formula C18H8N2O2 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione.

Molecular Properties

Compound Name2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione
PubChem CID1085049
Molecular FormulaC18H8N2O2
Molecular Weight284.27 g/mol
Exact Mass284.06
IUPAC Name2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione
SMILESO=c1c2ccccc2c2nc3c(=O)c4ccccc4c3nc12
InChIInChI=1S/C18H8N2O2/c21-17-11-7-3-1-5-9(11)13-15(17)20-14-10-6-2-4-8-12(10)18(22)16(14)19-13/h1-8H
InChIKeyTWOIPXRGHHSBQC-UHFFFAOYSA-N
XLogP2.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione?
The IUPAC name of 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione (CID 1085049) is 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione.
What is the SMILES notation for 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione?
The canonical SMILES for 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione is O=c1c2ccccc2c2nc3c(=O)c4ccccc4c3nc12.
What is the InChIKey of 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione?
The InChIKey is TWOIPXRGHHSBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8N2O2/c21-17-11-7-3-1-5-9(11)13-15(17)20-14-10-6-2-4-8-12(10)18(22)16(14)19-13/h1-8H.
What are the key properties of 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione?
2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione has a molecular weight of 284.27 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-10,20-dione is sourced from PubChem (CID 1085049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).