methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate

C15H15NO4S — CID 655508

IUPACmethyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3
InChIInChI=1S/C15H15NO4S/c1-9-5-10-6-12-13(20-4-3-19-12)7-11(10)16-15(9)21-8-14(17)18-2/h5-7H,3-4,8H2,1-2H3
InChIKeyWOGCRYGRFWNZAP-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.58
Rot. Bonds3

About methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate

methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate (PubChem CID 655508) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate
PubChem CID655508
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3
InChIInChI=1S/C15H15NO4S/c1-9-5-10-6-12-13(20-4-3-19-12)7-11(10)16-15(9)21-8-14(17)18-2/h5-7H,3-4,8H2,1-2H3
InChIKeyWOGCRYGRFWNZAP-UHFFFAOYSA-N
XLogP2.58
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate (CID 655508) is methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate is COC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3.
What is the InChIKey of methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate?
The InChIKey is WOGCRYGRFWNZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-5-10-6-12-13(20-4-3-19-12)7-11(10)16-15(9)21-8-14(17)18-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate?
methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate has a molecular weight of 305.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetate is sourced from PubChem (CID 655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).