11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C14H18N4O4 — CID 151968624

IUPAC11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCC1CCN(C)C2Cn3cc(C(N)=O)c(=O)c(O)c3C(=O)N12
InChIInChI=1S/C14H18N4O4/c1-7-3-4-16(2)9-6-17-5-8(13(15)21)11(19)12(20)10(17)14(22)18(7)9/h5,7,9,20H,3-4,6H2,1-2H3,(H2,15,21)
InChIKeyUAEQOHPYIQJYIF-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.84
Rot. Bonds1

About 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (PubChem CID 151968624) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

Compound Name11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
PubChem CID151968624
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCC1CCN(C)C2Cn3cc(C(N)=O)c(=O)c(O)c3C(=O)N12
InChIInChI=1S/C14H18N4O4/c1-7-3-4-16(2)9-6-17-5-8(13(15)21)11(19)12(20)10(17)14(22)18(7)9/h5,7,9,20H,3-4,6H2,1-2H3,(H2,15,21)
InChIKeyUAEQOHPYIQJYIF-UHFFFAOYSA-N
XLogP-0.84
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-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 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The IUPAC name of 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (CID 151968624) is 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.
What is the SMILES notation for 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The canonical SMILES for 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is CC1CCN(C)C2Cn3cc(C(N)=O)c(=O)c(O)c3C(=O)N12.
What is the InChIKey of 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The InChIKey is UAEQOHPYIQJYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-7-3-4-16(2)9-6-17-5-8(13(15)21)11(19)12(20)10(17)14(22)18(7)9/h5,7,9,20H,3-4,6H2,1-2H3,(H2,15,21).
What are the key properties of 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 306.32 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-4,7-dimethyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 151968624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).