9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C16H15NO3S — CID 2973470

IUPAC9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)s1
InChIInChI=1S/C16H15NO3S/c1-9-2-3-15(21-9)11-7-16(18)17-12-8-14-13(6-10(11)12)19-4-5-20-14/h2-3,6,8,11H,4-5,7H2,1H3,(H,17,18)
InChIKeyZOSPFYFSDWLWMU-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.30
Rot. Bonds1

About 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 2973470) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID2973470
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)s1
InChIInChI=1S/C16H15NO3S/c1-9-2-3-15(21-9)11-7-16(18)17-12-8-14-13(6-10(11)12)19-4-5-20-14/h2-3,6,8,11H,4-5,7H2,1H3,(H,17,18)
InChIKeyZOSPFYFSDWLWMU-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 2973470) is 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)s1.
What is the InChIKey of 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is ZOSPFYFSDWLWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-9-2-3-15(21-9)11-7-16(18)17-12-8-14-13(6-10(11)12)19-4-5-20-14/h2-3,6,8,11H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 301.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 2973470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).