(4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C20H16F3NO2S — CID 1263426

IUPAC(4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)13-5-1-2-6-14(13)24-15-7-3-8-16(25)19(15)12(11-18(24)26)17-9-4-10-27-17/h1-2,4-6,9-10,12H,3,7-8,11H2/t12-/m0/s1
InChIKeyYYNPTMHJULESLX-LBPRGKRZSA-N
MW391.41 g/mol
LogP5.29
Rot. Bonds2

About (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

(4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 1263426) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID1263426
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC Name(4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)13-5-1-2-6-14(13)24-15-7-3-8-16(25)19(15)12(11-18(24)26)17-9-4-10-27-17/h1-2,4-6,9-10,12H,3,7-8,11H2/t12-/m0/s1
InChIKeyYYNPTMHJULESLX-LBPRGKRZSA-N
XLogP5.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.41
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 1263426) is (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccccc1C(F)(F)F.
What is the InChIKey of (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is YYNPTMHJULESLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c21-20(22,23)13-5-1-2-6-14(13)24-15-7-3-8-16(25)19(15)12(11-18(24)26)17-9-4-10-27-17/h1-2,4-6,9-10,12H,3,7-8,11H2/t12-/m0/s1.
What are the key properties of (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
(4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 391.41 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 1263426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).