6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide

C15H18N4O3 — CID 175762989

IUPAC6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide
SMILESNC(=O)c1cn2c(cc1=O)C(=O)N1C(C2)NCC2CCCC21
InChIInChI=1S/C15H18N4O3/c16-14(21)9-6-18-7-13-17-5-8-2-1-3-10(8)19(13)15(22)11(18)4-12(9)20/h4,6,8,10,13,17H,1-3,5,7H2,(H2,16,21)
InChIKeyZOECGAUKQATVTM-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.50
Rot. Bonds1

About 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide

6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide (PubChem CID 175762989) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide.

Molecular Properties

Compound Name6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide
PubChem CID175762989
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide
SMILESNC(=O)c1cn2c(cc1=O)C(=O)N1C(C2)NCC2CCCC21
InChIInChI=1S/C15H18N4O3/c16-14(21)9-6-18-7-13-17-5-8-2-1-3-10(8)19(13)15(22)11(18)4-12(9)20/h4,6,8,10,13,17H,1-3,5,7H2,(H2,16,21)
InChIKeyZOECGAUKQATVTM-UHFFFAOYSA-N
XLogP-0.50
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide 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 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide?
The IUPAC name of 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide (CID 175762989) is 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide.
What is the SMILES notation for 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide?
The canonical SMILES for 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide is NC(=O)c1cn2c(cc1=O)C(=O)N1C(C2)NCC2CCCC21.
What is the InChIKey of 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide?
The InChIKey is ZOECGAUKQATVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-14(21)9-6-18-7-13-17-5-8-2-1-3-10(8)19(13)15(22)11(18)4-12(9)20/h4,6,8,10,13,17H,1-3,5,7H2,(H2,16,21).
What are the key properties of 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide?
6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dioxo-3,10,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-4,7-diene-5-carboxamide is sourced from PubChem (CID 175762989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).