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

C16H15NO3S — CID 1250110

IUPAC(9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCc1ccc([C@@H]2CC(=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)/t11-/m1/s1
InChIKeyZOSPFYFSDWLWMU-LLVKDONJSA-N
MW301.37 g/mol
LogP3.30
Rot. Bonds1

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

(9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 1250110) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name(9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID1250110
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCc1ccc([C@@H]2CC(=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)/t11-/m1/s1
InChIKeyZOSPFYFSDWLWMU-LLVKDONJSA-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 (9R)-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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Related Compounds

9-(4-methyl-3-nitrophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2972968
9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 4078264
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256796
8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 649015
9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3158473
(9R)-9-(3-bromophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1094693
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
(9R)-9-(5-bromo-2-fluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1289584
9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2978934
(9R)-9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256572
(9S)-9-(4-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 7263181

Frequently Asked Questions

What is the IUPAC name of (9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of (9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 1250110) is (9R)-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 (9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for (9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is Cc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)s1.
What is the InChIKey of (9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is ZOSPFYFSDWLWMU-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
(9R)-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 (9R)-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 1250110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).