8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C14H11NO3S — CID 649015

IUPAC8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=C1CC(c2cccs2)c2cc3c(cc2N1)OCO3
InChIInChI=1S/C14H11NO3S/c16-14-5-9(13-2-1-3-19-13)8-4-11-12(18-7-17-11)6-10(8)15-14/h1-4,6,9H,5,7H2,(H,15,16)
InChIKeyMKFHVKKZYJCGRL-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.95
Rot. Bonds1

About 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 649015) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID649015
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=C1CC(c2cccs2)c2cc3c(cc2N1)OCO3
InChIInChI=1S/C14H11NO3S/c16-14-5-9(13-2-1-3-19-13)8-4-11-12(18-7-17-11)6-10(8)15-14/h1-4,6,9H,5,7H2,(H,15,16)
InChIKeyMKFHVKKZYJCGRL-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 649015) is 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is O=C1CC(c2cccs2)c2cc3c(cc2N1)OCO3.
What is the InChIKey of 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is MKFHVKKZYJCGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-14-5-9(13-2-1-3-19-13)8-4-11-12(18-7-17-11)6-10(8)15-14/h1-4,6,9H,5,7H2,(H,15,16).
What are the key properties of 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 273.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 649015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).