8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione

C17H17N3O6 — CID 53308989

IUPAC8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESCOc1cc(C2C3=C(COC3=O)Nc3[nH][nH]c(=O)c32)cc(OC)c1OC
InChIInChI=1S/C17H17N3O6/c1-23-9-4-7(5-10(24-2)14(9)25-3)11-12-8(6-26-17(12)22)18-15-13(11)16(21)20-19-15/h4-5,11H,6H2,1-3H3,(H3,18,19,20,21)
InChIKeyURSCCTGFSXMTNB-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.10
Rot. Bonds4

About 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione

8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (PubChem CID 53308989) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.

Molecular Properties

Compound Name8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
PubChem CID53308989
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Name8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESCOc1cc(C2C3=C(COC3=O)Nc3[nH][nH]c(=O)c32)cc(OC)c1OC
InChIInChI=1S/C17H17N3O6/c1-23-9-4-7(5-10(24-2)14(9)25-3)11-12-8(6-26-17(12)22)18-15-13(11)16(21)20-19-15/h4-5,11H,6H2,1-3H3,(H3,18,19,20,21)
InChIKeyURSCCTGFSXMTNB-UHFFFAOYSA-N
XLogP1.10
TPSA114.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione with MolForge

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Related Compounds

4,4'-[(3,4,5-trimethoxyphenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol)
CID 3148090
1H,3H-Difuro(3,4-b:3',4'-e)pyridine-1,7(4H)-dione, 5,8-dihydro-8-(2,3,4-trimethoxyphenyl)-
CID 3078195
6-Phenyl-4-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrahydroindazol-3-one
CID 71570356
ethyl 3-(3,4-dimethoxyphenyl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate
CID 71702151
ethyl 3-(2,3-dimethoxyphenyl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate
CID 71708291
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-(2,3,4-trimethoxyphenyl)propanoate
CID 71709414
5-[(3-Methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 145953868
methyl (3R)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoate
CID 97267000
methyl (3R)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanoate
CID 97425401
Ethyl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 2920231
Prop-2-en-1-yl 7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 4656943
11-Methyl-13-propyl-8-(3,4,5-trimethoxyphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione
CID 16253036

Frequently Asked Questions

What is the IUPAC name of 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The IUPAC name of 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (CID 53308989) is 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.
What is the SMILES notation for 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The canonical SMILES for 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is COc1cc(C2C3=C(COC3=O)Nc3[nH][nH]c(=O)c32)cc(OC)c1OC.
What is the InChIKey of 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The InChIKey is URSCCTGFSXMTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-23-9-4-7(5-10(24-2)14(9)25-3)11-12-8(6-26-17(12)22)18-15-13(11)16(21)20-19-15/h4-5,11H,6H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione has a molecular weight of 359.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4,5-trimethoxyphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is sourced from PubChem (CID 53308989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).