7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione

C13H11NO2S — CID 43841326

IUPAC7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CC(c2cccs2)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C13H11NO2S/c15-11-7-8(12-2-1-5-17-12)6-10-9(11)3-4-13(16)14-10/h1-5,8H,6-7H2,(H,14,16)
InChIKeyCQWIEPYVQOJWBA-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.35
Rot. Bonds1

About 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione

7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 43841326) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID43841326
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CC(c2cccs2)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C13H11NO2S/c15-11-7-8(12-2-1-5-17-12)6-10-9(11)3-4-13(16)14-10/h1-5,8H,6-7H2,(H,14,16)
InChIKeyCQWIEPYVQOJWBA-UHFFFAOYSA-N
XLogP2.35
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 43841326) is 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1CC(c2cccs2)Cc2[nH]c(=O)ccc21.
What is the InChIKey of 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is CQWIEPYVQOJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-11-7-8(12-2-1-5-17-12)6-10-9(11)3-4-13(16)14-10/h1-5,8H,6-7H2,(H,14,16).
What are the key properties of 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione?
7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 245.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 43841326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).