13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone

C17H11N3O5 — CID 24799349

IUPAC13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone
SMILESCn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C17H11N3O5/c1-19-15-12(16(24)20(2)17(19)25)11-8(6-18-15)14(23)10-7(13(11)22)4-3-5-9(10)21/h3-6,21H,1-2H3
InChIKeyKGCFXHNQGJRPDI-UHFFFAOYSA-N
MW337.29 g/mol
LogP0.11
Rot. Bonds

About 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone

13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone (PubChem CID 24799349) has the molecular formula C17H11N3O5 and a molecular weight of 337.29 g/mol. Its IUPAC name is 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone.

Molecular Properties

Compound Name13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone
PubChem CID24799349
Molecular FormulaC17H11N3O5
Molecular Weight337.29 g/mol
Exact Mass337.07
IUPAC Name13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone
SMILESCn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C17H11N3O5/c1-19-15-12(16(24)20(2)17(19)25)11-8(6-18-15)14(23)10-7(13(11)22)4-3-5-9(10)21/h3-6,21H,1-2H3
InChIKeyKGCFXHNQGJRPDI-UHFFFAOYSA-N
XLogP0.11
TPSA111.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone 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 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone?
The IUPAC name of 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone (CID 24799349) is 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone.
What is the SMILES notation for 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone?
The canonical SMILES for 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone is Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)c1c(O)cccc1C3=O.
What is the InChIKey of 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone?
The InChIKey is KGCFXHNQGJRPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O5/c1-19-15-12(16(24)20(2)17(19)25)11-8(6-18-15)14(23)10-7(13(11)22)4-3-5-9(10)21/h3-6,21H,1-2H3.
What are the key properties of 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone?
13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone has a molecular weight of 337.29 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-4,6-dimethyl-4,6,8-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,7,9,12(17),13,15-hexaene-3,5,11,18-tetrone is sourced from PubChem (CID 24799349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).