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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Related Compounds

(2,2,3,3-Ttetramethylcyclopropyl)(1-(2-(thiophen-3-yl)ethyl)-1H-indol-3-yl)methanone
CID 11610001
(2,2,3,3-Tetramethylcyclopropyl)(1-(2-(thiophen-2-yl)ethyl)-1H-indol-3-yl)methanone
CID 11688907
{1-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-1H-indol-3-yl}(2-thienyl)methanone
CID 2203239
[3-(2-thienylcarbonyl)-1H-indol-1-yl]acetic acid
CID 2212703
(2E)-3-(Quinolin-4-YL)-1-(thiophen-2-YL)prop-2-EN-1-one
CID 5739531
2-oxo-N-quinolin-6-yl-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
CID 11069642
2-oxo-N-quinolin-6-yl-2-[1-(thiophen-2-ylmethyl)indol-3-yl]acetamide
CID 11825770
(3R)-3-(1H-indol-3-yl)-1-phenyl-3-thiophen-2-ylpropan-1-one
CID 126715493
1-{Thieno[3,2-b]pyridin-6-yl}ethan-1-one
CID 12885494
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 7162276
1-(1-Benzylindol-3-yl)-2-thiophen-2-ylethane-1,2-dione
CID 73350968
[3-(Thiophene-2-carbonyl)-indol-1-yl]-acetic acid methyl ester
CID 651909

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).