20-hydroxy-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

C20H11NO3 — CID 71598222

IUPAC20-hydroxy-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
SMILESO=C1c2cc(O)c3ccccc3c2C(=O)c2[nH]c3ccccc3c21
InChIInChI=1S/C20H11NO3/c22-15-9-13-16(11-6-2-1-5-10(11)15)20(24)18-17(19(13)23)12-7-3-4-8-14(12)21-18/h1-9,21-22H
InChIKeyKJKPJLPMCQRJEE-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.80
Rot. Bonds

About 20-hydroxy-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

20-hydroxy-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 71598222) has the molecular formula C20H11NO3 and a molecular weight of 313.31 g/mol. Its IUPAC name is 20-hydroxy-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 Name20-hydroxy-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 CID71598222
Molecular FormulaC20H11NO3
Molecular Weight313.31 g/mol
Exact Mass313.07
IUPAC Name20-hydroxy-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
SMILESO=C1c2cc(O)c3ccccc3c2C(=O)c2[nH]c3ccccc3c21
InChIInChI=1S/C20H11NO3/c22-15-9-13-16(11-6-2-1-5-10(11)15)20(24)18-17(19(13)23)12-7-3-4-8-14(12)21-18/h1-9,21-22H
InChIKeyKJKPJLPMCQRJEE-UHFFFAOYSA-N
XLogP3.80
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 20-hydroxy-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

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Frequently Asked Questions

What is the IUPAC name of 20-hydroxy-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 20-hydroxy-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 71598222) is 20-hydroxy-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 20-hydroxy-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 20-hydroxy-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=C1c2cc(O)c3ccccc3c2C(=O)c2[nH]c3ccccc3c21.
What is the InChIKey of 20-hydroxy-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 KJKPJLPMCQRJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO3/c22-15-9-13-16(11-6-2-1-5-10(11)15)20(24)18-17(19(13)23)12-7-3-4-8-14(12)21-18/h1-9,21-22H.
What are the key properties of 20-hydroxy-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?
20-hydroxy-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 313.31 g/mol, XLogP of 3.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-hydroxy-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 71598222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).