8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid

C15H8N2O3 — CID 67751243

IUPAC8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid
SMILESO=C(O)c1nn2c3ccccc3c(=O)c3cccc1c32
InChIInChI=1S/C15H8N2O3/c18-14-8-4-1-2-7-11(8)17-13-9(5-3-6-10(13)14)12(16-17)15(19)20/h1-7H,(H,19,20)
InChIKeyNKUYBXIQXWVSHD-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.14
Rot. Bonds1

About 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid

8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid (PubChem CID 67751243) has the molecular formula C15H8N2O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid.

Molecular Properties

Compound Name8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid
PubChem CID67751243
Molecular FormulaC15H8N2O3
Molecular Weight264.24 g/mol
Exact Mass264.05
IUPAC Name8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid
SMILESO=C(O)c1nn2c3ccccc3c(=O)c3cccc1c32
InChIInChI=1S/C15H8N2O3/c18-14-8-4-1-2-7-11(8)17-13-9(5-3-6-10(13)14)12(16-17)15(19)20/h1-7H,(H,19,20)
InChIKeyNKUYBXIQXWVSHD-UHFFFAOYSA-N
XLogP2.14
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid 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 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid?
The IUPAC name of 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid (CID 67751243) is 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid.
What is the SMILES notation for 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid?
The canonical SMILES for 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid is O=C(O)c1nn2c3ccccc3c(=O)c3cccc1c32.
What is the InChIKey of 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid?
The InChIKey is NKUYBXIQXWVSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O3/c18-14-8-4-1-2-7-11(8)17-13-9(5-3-6-10(13)14)12(16-17)15(19)20/h1-7H,(H,19,20).
What are the key properties of 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid?
8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-14-carboxylic acid is sourced from PubChem (CID 67751243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).