14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C17H12N2O3 — CID 24779966

IUPAC14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESO=C1NC(=O)c2c1c1c(c3[nH]c4cccc(O)c4c23)CCC1
InChIInChI=1S/C17H12N2O3/c20-10-6-2-5-9-12(10)13-14-11(16(21)19-17(14)22)7-3-1-4-8(7)15(13)18-9/h2,5-6,18,20H,1,3-4H2,(H,19,21,22)
InChIKeyJBDCMDRXNLEZPE-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.40
Rot. Bonds

About 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (PubChem CID 24779966) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

Molecular Properties

Compound Name14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
PubChem CID24779966
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESO=C1NC(=O)c2c1c1c(c3[nH]c4cccc(O)c4c23)CCC1
InChIInChI=1S/C17H12N2O3/c20-10-6-2-5-9-12(10)13-14-11(16(21)19-17(14)22)7-3-1-4-8(7)15(13)18-9/h2,5-6,18,20H,1,3-4H2,(H,19,21,22)
InChIKeyJBDCMDRXNLEZPE-UHFFFAOYSA-N
XLogP2.40
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The IUPAC name of 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (CID 24779966) is 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.
What is the SMILES notation for 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The canonical SMILES for 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is O=C1NC(=O)c2c1c1c(c3[nH]c4cccc(O)c4c23)CCC1.
What is the InChIKey of 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The InChIKey is JBDCMDRXNLEZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-10-6-2-5-9-12(10)13-14-11(16(21)19-17(14)22)7-3-1-4-8(7)15(13)18-9/h2,5-6,18,20H,1,3-4H2,(H,19,21,22).
What are the key properties of 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione has a molecular weight of 292.29 g/mol, XLogP of 2.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is sourced from PubChem (CID 24779966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).