5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione

C19H10N2O2 — CID 23448044

IUPAC5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione
SMILESO=C1c2ccncc2-c2c1c(=O)[nH]c1c2ccc2ccccc21
InChIInChI=1S/C19H10N2O2/c22-18-12-7-8-20-9-14(12)15-13-6-5-10-3-1-2-4-11(10)17(13)21-19(23)16(15)18/h1-9H,(H,21,23)
InChIKeyDVJCGGLWWDMJPP-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.29
Rot. Bonds

About 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione

5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione (PubChem CID 23448044) has the molecular formula C19H10N2O2 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione.

Molecular Properties

Compound Name5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione
PubChem CID23448044
Molecular FormulaC19H10N2O2
Molecular Weight298.30 g/mol
Exact Mass298.07
IUPAC Name5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione
SMILESO=C1c2ccncc2-c2c1c(=O)[nH]c1c2ccc2ccccc21
InChIInChI=1S/C19H10N2O2/c22-18-12-7-8-20-9-14(12)15-13-6-5-10-3-1-2-4-11(10)17(13)21-19(23)16(15)18/h1-9H,(H,21,23)
InChIKeyDVJCGGLWWDMJPP-UHFFFAOYSA-N
XLogP3.29
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione?
The IUPAC name of 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione (CID 23448044) is 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione.
What is the SMILES notation for 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione?
The canonical SMILES for 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione is O=C1c2ccncc2-c2c1c(=O)[nH]c1c2ccc2ccccc21.
What is the InChIKey of 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione?
The InChIKey is DVJCGGLWWDMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O2/c22-18-12-7-8-20-9-14(12)15-13-6-5-10-3-1-2-4-11(10)17(13)21-19(23)16(15)18/h1-9H,(H,21,23).
What are the key properties of 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione?
5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione has a molecular weight of 298.30 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione is sourced from PubChem (CID 23448044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).