3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one

C16H9NO2S — CID 156597499

IUPAC3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one
SMILESO=c1oc2c(cnc3ccccc32)cc1-c1ccsc1
InChIInChI=1S/C16H9NO2S/c18-16-13(10-5-6-20-9-10)7-11-8-17-14-4-2-1-3-12(14)15(11)19-16/h1-9H
InChIKeyYKYIIFJSJJATJI-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.07
Rot. Bonds1

About 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one

3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one (PubChem CID 156597499) has the molecular formula C16H9NO2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one.

Molecular Properties

Compound Name3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one
PubChem CID156597499
Molecular FormulaC16H9NO2S
Molecular Weight279.32 g/mol
Exact Mass279.04
IUPAC Name3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one
SMILESO=c1oc2c(cnc3ccccc32)cc1-c1ccsc1
InChIInChI=1S/C16H9NO2S/c18-16-13(10-5-6-20-9-10)7-11-8-17-14-4-2-1-3-12(14)15(11)19-16/h1-9H
InChIKeyYKYIIFJSJJATJI-UHFFFAOYSA-N
XLogP4.07
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one?
The IUPAC name of 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one (CID 156597499) is 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one.
What is the SMILES notation for 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one?
The canonical SMILES for 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one is O=c1oc2c(cnc3ccccc32)cc1-c1ccsc1.
What is the InChIKey of 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one?
The InChIKey is YKYIIFJSJJATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2S/c18-16-13(10-5-6-20-9-10)7-11-8-17-14-4-2-1-3-12(14)15(11)19-16/h1-9H.
What are the key properties of 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one?
3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one has a molecular weight of 279.32 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpyrano[3,2-c]quinolin-2-one is sourced from PubChem (CID 156597499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).