2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione

C17H11NO2S — CID 175020001

IUPAC2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione
SMILESCc1sccc1C1C(=O)c2cnc3ccccc3c2C1=O
InChIInChI=1S/C17H11NO2S/c1-9-10(6-7-21-9)15-16(19)12-8-18-13-5-3-2-4-11(13)14(12)17(15)20/h2-8,15H,1H3
InChIKeyTXQOYQAHXLEXPH-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.77
Rot. Bonds1

About 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione

2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione (PubChem CID 175020001) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione
PubChem CID175020001
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione
SMILESCc1sccc1C1C(=O)c2cnc3ccccc3c2C1=O
InChIInChI=1S/C17H11NO2S/c1-9-10(6-7-21-9)15-16(19)12-8-18-13-5-3-2-4-11(13)14(12)17(15)20/h2-8,15H,1H3
InChIKeyTXQOYQAHXLEXPH-UHFFFAOYSA-N
XLogP3.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione?
The IUPAC name of 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione (CID 175020001) is 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione.
What is the SMILES notation for 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione?
The canonical SMILES for 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione is Cc1sccc1C1C(=O)c2cnc3ccccc3c2C1=O.
What is the InChIKey of 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione?
The InChIKey is TXQOYQAHXLEXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c1-9-10(6-7-21-9)15-16(19)12-8-18-13-5-3-2-4-11(13)14(12)17(15)20/h2-8,15H,1H3.
What are the key properties of 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione?
2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione has a molecular weight of 293.35 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthiophen-3-yl)cyclopenta[c]quinoline-1,3-dione is sourced from PubChem (CID 175020001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).