7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one

C22H23NO7 — CID 15318766

IUPAC7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCOc1cc(-n2cc(C(C)(C)O)c(=O)c3cc4c(cc32)OCO4)cc(OC)c1OC
InChIInChI=1S/C22H23NO7/c1-22(2,25)14-10-23(12-6-18(26-3)21(28-5)19(7-12)27-4)15-9-17-16(29-11-30-17)8-13(15)20(14)24/h6-10,25H,11H2,1-5H3
InChIKeyIYGYUAROSMKZRT-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.97
Rot. Bonds5

About 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one

7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 15318766) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID15318766
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC Name7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCOc1cc(-n2cc(C(C)(C)O)c(=O)c3cc4c(cc32)OCO4)cc(OC)c1OC
InChIInChI=1S/C22H23NO7/c1-22(2,25)14-10-23(12-6-18(26-3)21(28-5)19(7-12)27-4)15-9-17-16(29-11-30-17)8-13(15)20(14)24/h6-10,25H,11H2,1-5H3
InChIKeyIYGYUAROSMKZRT-UHFFFAOYSA-N
XLogP2.97
TPSA88.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 15318766) is 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one is COc1cc(-n2cc(C(C)(C)O)c(=O)c3cc4c(cc32)OCO4)cc(OC)c1OC.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is IYGYUAROSMKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c1-22(2,25)14-10-23(12-6-18(26-3)21(28-5)19(7-12)27-4)15-9-17-16(29-11-30-17)8-13(15)20(14)24/h6-10,25H,11H2,1-5H3.
What are the key properties of 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one?
7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 413.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 15318766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).