8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C19H17NO6 — CID 71770293

IUPAC8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1cc(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)cc(OC)c1OC
InChIInChI=1S/C19H17NO6/c1-22-16-4-10(5-17(23-2)19(16)24-3)11-7-18(21)20-13-8-15-14(6-12(11)13)25-9-26-15/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyGAWMBTGEVMHDHE-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.95
Rot. Bonds4

About 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 71770293) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID71770293
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1cc(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)cc(OC)c1OC
InChIInChI=1S/C19H17NO6/c1-22-16-4-10(5-17(23-2)19(16)24-3)11-7-18(21)20-13-8-15-14(6-12(11)13)25-9-26-15/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyGAWMBTGEVMHDHE-UHFFFAOYSA-N
XLogP2.95
TPSA79.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 71770293) is 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COc1cc(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)cc(OC)c1OC.
What is the InChIKey of 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is GAWMBTGEVMHDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-22-16-4-10(5-17(23-2)19(16)24-3)11-7-18(21)20-13-8-15-14(6-12(11)13)25-9-26-15/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 355.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4,5-trimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 71770293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).