10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

C20H15NO2S — CID 2869854

IUPAC10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1cccs1)C1C(=O)c3ccccc3C1=N2
InChIInChI=1S/C20H15NO2S/c22-14-8-3-7-13-16(14)17(15-9-4-10-24-15)18-19(21-13)11-5-1-2-6-12(11)20(18)23/h1-2,4-6,9-10,17-18H,3,7-8H2
InChIKeyVNQPVGLEMOTYAH-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.15
Rot. Bonds1

About 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 2869854) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID2869854
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1cccs1)C1C(=O)c3ccccc3C1=N2
InChIInChI=1S/C20H15NO2S/c22-14-8-3-7-13-16(14)17(15-9-4-10-24-15)18-19(21-13)11-5-1-2-6-12(11)20(18)23/h1-2,4-6,9-10,17-18H,3,7-8H2
InChIKeyVNQPVGLEMOTYAH-UHFFFAOYSA-N
XLogP4.15
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 2869854) is 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is O=C1CCCC2=C1C(c1cccs1)C1C(=O)c3ccccc3C1=N2.
What is the InChIKey of 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is VNQPVGLEMOTYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c22-14-8-3-7-13-16(14)17(15-9-4-10-24-15)18-19(21-13)11-5-1-2-6-12(11)20(18)23/h1-2,4-6,9-10,17-18H,3,7-8H2.
What are the key properties of 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 333.41 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thiophen-2-yl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 2869854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).