[1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone

C19H17NO6 — CID 11725728

IUPAC[1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccc3cc4c(cc32)OCO4)cc(OC)c1OC
InChIInChI=1S/C19H17NO6/c1-22-16-7-12(8-17(23-2)18(16)24-3)19(21)20-5-4-11-6-14-15(9-13(11)20)26-10-25-14/h4-9H,10H2,1-3H3
InChIKeyZSOOHIKZXYGWCQ-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.08
Rot. Bonds4

About [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone

[1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11725728) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11725728
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name[1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccc3cc4c(cc32)OCO4)cc(OC)c1OC
InChIInChI=1S/C19H17NO6/c1-22-16-7-12(8-17(23-2)18(16)24-3)19(21)20-5-4-11-6-14-15(9-13(11)20)26-10-25-14/h4-9H,10H2,1-3H3
InChIKeyZSOOHIKZXYGWCQ-UHFFFAOYSA-N
XLogP3.08
TPSA68.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone 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 [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone (CID 11725728) is [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2ccc3cc4c(cc32)OCO4)cc(OC)c1OC.
What is the InChIKey of [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZSOOHIKZXYGWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-22-16-7-12(8-17(23-2)18(16)24-3)19(21)20-5-4-11-6-14-15(9-13(11)20)26-10-25-14/h4-9H,10H2,1-3H3.
What are the key properties of [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone?
[1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-f]indol-5-yl-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11725728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).