10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione

C20H11NO2 — CID 16655053

IUPAC10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
SMILESO=C1c2[nH]c3ccccc3c2C(=O)c2ccc3ccccc3c21
InChIInChI=1S/C20H11NO2/c22-19-14-10-9-11-5-1-2-6-12(11)16(14)20(23)18-17(19)13-7-3-4-8-15(13)21-18/h1-10,21H
InChIKeyPSAXRXASUQFPIZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.10
Rot. Bonds

About 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione

10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione (PubChem CID 16655053) has the molecular formula C20H11NO2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione.

Molecular Properties

Compound Name10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
PubChem CID16655053
Molecular FormulaC20H11NO2
Molecular Weight297.31 g/mol
Exact Mass297.08
IUPAC Name10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
SMILESO=C1c2[nH]c3ccccc3c2C(=O)c2ccc3ccccc3c21
InChIInChI=1S/C20H11NO2/c22-19-14-10-9-11-5-1-2-6-12(11)16(14)20(23)18-17(19)13-7-3-4-8-15(13)21-18/h1-10,21H
InChIKeyPSAXRXASUQFPIZ-UHFFFAOYSA-N
XLogP4.10
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-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 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione?
The IUPAC name of 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione (CID 16655053) is 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione.
What is the SMILES notation for 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione?
The canonical SMILES for 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione is O=C1c2[nH]c3ccccc3c2C(=O)c2ccc3ccccc3c21.
What is the InChIKey of 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione?
The InChIKey is PSAXRXASUQFPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO2/c22-19-14-10-9-11-5-1-2-6-12(11)16(14)20(23)18-17(19)13-7-3-4-8-15(13)21-18/h1-10,21H.
What are the key properties of 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione?
10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione has a molecular weight of 297.31 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione is sourced from PubChem (CID 16655053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).