1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C19H17NO2S — CID 3236214

IUPAC1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1
InChIInChI=1S/C19H17NO2S/c21-17-8-4-7-16-19(17)15(13-9-10-23-12-13)11-18(22)20(16)14-5-2-1-3-6-14/h1-3,5-6,9-10,12,15H,4,7-8,11H2
InChIKeyRVWJVVXBHRVIFO-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.28
Rot. Bonds2

About 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 3236214) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID3236214
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1
InChIInChI=1S/C19H17NO2S/c21-17-8-4-7-16-19(17)15(13-9-10-23-12-13)11-18(22)20(16)14-5-2-1-3-6-14/h1-3,5-6,9-10,12,15H,4,7-8,11H2
InChIKeyRVWJVVXBHRVIFO-UHFFFAOYSA-N
XLogP4.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 3236214) is 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1.
What is the InChIKey of 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is RVWJVVXBHRVIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-17-8-4-7-16-19(17)15(13-9-10-23-12-13)11-18(22)20(16)14-5-2-1-3-6-14/h1-3,5-6,9-10,12,15H,4,7-8,11H2.
What are the key properties of 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 323.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 3236214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).