8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C17H13NO4 — CID 71770036

IUPAC8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccccc1-c1cc(=O)[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C17H13NO4/c1-20-14-5-3-2-4-10(14)11-7-17(19)18-13-8-16-15(6-12(11)13)21-9-22-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyWOZAMDLTLYDIOY-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.93
Rot. Bonds2

About 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 71770036) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID71770036
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccccc1-c1cc(=O)[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C17H13NO4/c1-20-14-5-3-2-4-10(14)11-7-17(19)18-13-8-16-15(6-12(11)13)21-9-22-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyWOZAMDLTLYDIOY-UHFFFAOYSA-N
XLogP2.93
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 71770036) is 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COc1ccccc1-c1cc(=O)[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is WOZAMDLTLYDIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-20-14-5-3-2-4-10(14)11-7-17(19)18-13-8-16-15(6-12(11)13)21-9-22-16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 295.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 71770036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).