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

C18H17NO7 — CID 3078195

IUPAC8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESCOc1ccc(C2C3=C(COC3=O)NC3=C2C(=O)OC3)c(OC)c1OC
InChIInChI=1S/C18H17NO7/c1-22-11-5-4-8(15(23-2)16(11)24-3)12-13-9(6-25-17(13)20)19-10-7-26-18(21)14(10)12/h4-5,12,19H,6-7H2,1-3H3
InChIKeyWAMLVWKPFOLSDP-UHFFFAOYSA-N
MW359.33 g/mol
LogP1.02
Rot. Bonds4

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

8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (PubChem CID 3078195) has the molecular formula C18H17NO7 and a molecular weight of 359.33 g/mol. Its IUPAC name is 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.

Molecular Properties

Compound Name8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
PubChem CID3078195
Molecular FormulaC18H17NO7
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESCOc1ccc(C2C3=C(COC3=O)NC3=C2C(=O)OC3)c(OC)c1OC
InChIInChI=1S/C18H17NO7/c1-22-11-5-4-8(15(23-2)16(11)24-3)12-13-9(6-25-17(13)20)19-10-7-26-18(21)14(10)12/h4-5,12,19H,6-7H2,1-3H3
InChIKeyWAMLVWKPFOLSDP-UHFFFAOYSA-N
XLogP1.02
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The IUPAC name of 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (CID 3078195) is 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.
What is the SMILES notation for 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The canonical SMILES for 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is COc1ccc(C2C3=C(COC3=O)NC3=C2C(=O)OC3)c(OC)c1OC.
What is the InChIKey of 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The InChIKey is WAMLVWKPFOLSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO7/c1-22-11-5-4-8(15(23-2)16(11)24-3)12-13-9(6-25-17(13)20)19-10-7-26-18(21)14(10)12/h4-5,12,19H,6-7H2,1-3H3.
What are the key properties of 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione has a molecular weight of 359.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is sourced from PubChem (CID 3078195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).