N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide

C22H22N2O5S — CID 3208309

IUPACN-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
SMILESCCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(OC)c(OC)c1)OCO3
InChIInChI=1S/C22H22N2O5S/c1-4-13-7-14-8-19-20(29-12-28-19)10-16(14)24-22(13)30-11-21(25)23-15-5-6-17(26-2)18(9-15)27-3/h5-10H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyXKQOUQMOQUFGIL-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.27
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide

N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide (PubChem CID 3208309) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
PubChem CID3208309
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
SMILESCCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(OC)c(OC)c1)OCO3
InChIInChI=1S/C22H22N2O5S/c1-4-13-7-14-8-19-20(29-12-28-19)10-16(14)24-22(13)30-11-21(25)23-15-5-6-17(26-2)18(9-15)27-3/h5-10H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyXKQOUQMOQUFGIL-UHFFFAOYSA-N
XLogP4.27
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide (CID 3208309) is N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide is CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(OC)c(OC)c1)OCO3.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The InChIKey is XKQOUQMOQUFGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-4-13-7-14-8-19-20(29-12-28-19)10-16(14)24-22(13)30-11-21(25)23-15-5-6-17(26-2)18(9-15)27-3/h5-10H,4,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide has a molecular weight of 426.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 3208309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).