17-methyl-9,19-diaza-17-azoniapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C17H14N3O2+ — CID 58768574

IUPAC17-methyl-9,19-diaza-17-azoniapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESC[n+]1cccc2c3c4c(c5c(c3[nH]c21)CCC5)C(=O)NC4=O
InChIInChI=1S/C17H13N3O2/c1-20-7-3-6-10-11-13-12(16(21)19-17(13)22)8-4-2-5-9(8)14(11)18-15(10)20/h3,6-7H,2,4-5H2,1H3,(H,19,21,22)/p+1
InChIKeyAVGJFBXQKKLQQG-UHFFFAOYSA-O
MW292.32 g/mol
LogP1.52
Rot. Bonds

About 17-methyl-9,19-diaza-17-azoniapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

17-methyl-9,19-diaza-17-azoniapentacyclo[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 58768574) has the molecular formula C17H14N3O2+ and a molecular weight of 292.32 g/mol. Its IUPAC name is 17-methyl-9,19-diaza-17-azoniapentacyclo[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 Name17-methyl-9,19-diaza-17-azoniapentacyclo[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 CID58768574
Molecular FormulaC17H14N3O2+
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name17-methyl-9,19-diaza-17-azoniapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESC[n+]1cccc2c3c4c(c5c(c3[nH]c21)CCC5)C(=O)NC4=O
InChIInChI=1S/C17H13N3O2/c1-20-7-3-6-10-11-13-12(16(21)19-17(13)22)8-4-2-5-9(8)14(11)18-15(10)20/h3,6-7H,2,4-5H2,1H3,(H,19,21,22)/p+1
InChIKeyAVGJFBXQKKLQQG-UHFFFAOYSA-O
XLogP1.52
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 17-methyl-9,19-diaza-17-azoniapentacyclo[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 17-methyl-9,19-diaza-17-azoniapentacyclo[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 17-methyl-9,19-diaza-17-azoniapentacyclo[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 58768574) is 17-methyl-9,19-diaza-17-azoniapentacyclo[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 17-methyl-9,19-diaza-17-azoniapentacyclo[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 17-methyl-9,19-diaza-17-azoniapentacyclo[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 C[n+]1cccc2c3c4c(c5c(c3[nH]c21)CCC5)C(=O)NC4=O.
What is the InChIKey of 17-methyl-9,19-diaza-17-azoniapentacyclo[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 AVGJFBXQKKLQQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H13N3O2/c1-20-7-3-6-10-11-13-12(16(21)19-17(13)22)8-4-2-5-9(8)14(11)18-15(10)20/h3,6-7H,2,4-5H2,1H3,(H,19,21,22)/p+1.
What are the key properties of 17-methyl-9,19-diaza-17-azoniapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
17-methyl-9,19-diaza-17-azoniapentacyclo[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 292.32 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-9,19-diaza-17-azoniapentacyclo[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 58768574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).