9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C15H13NO3S — CID 2962890

IUPAC9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1CC(c2cccs2)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C15H13NO3S/c17-15-7-10(14-2-1-5-20-14)9-6-12-13(8-11(9)16-15)19-4-3-18-12/h1-2,5-6,8,10H,3-4,7H2,(H,16,17)
InChIKeyFLUZLSXGOKVFFO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.99
Rot. Bonds1

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

9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 2962890) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID2962890
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1CC(c2cccs2)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C15H13NO3S/c17-15-7-10(14-2-1-5-20-14)9-6-12-13(8-11(9)16-15)19-4-3-18-12/h1-2,5-6,8,10H,3-4,7H2,(H,16,17)
InChIKeyFLUZLSXGOKVFFO-UHFFFAOYSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-thiophen-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

N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
4-(4-Ethoxy-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2942971
N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1331552
9-(4-methylphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2956684
9-(3-ethoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 3158472
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide
CID 4012023
9-(4-isopropylphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 4078264
4-(3-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2937553
N-(7-butyryl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxamide
CID 712967
4-(3-cyclopentylphenyl)-6,7-dimethoxy-3-thiophen-2-yl-1H-quinolin-2-one
CID 50916130
6,7-Dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 651105
9-(5-methyl-2-thienyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2973470

Frequently Asked Questions

What is the IUPAC name of 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 2962890) is 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=C1CC(c2cccs2)c2cc3c(cc2N1)OCCO3.
What is the InChIKey of 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is FLUZLSXGOKVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-15-7-10(14-2-1-5-20-14)9-6-12-13(8-11(9)16-15)19-4-3-18-12/h1-2,5-6,8,10H,3-4,7H2,(H,16,17).
What are the key properties of 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 287.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiophen-2-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 2962890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).