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

C20H16F3NO2S — CID 1267490

IUPAC(4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)12-4-1-5-13(10-12)24-15-6-2-7-16(25)19(15)14(11-18(24)26)17-8-3-9-27-17/h1,3-5,8-10,14H,2,6-7,11H2/t14-/m0/s1
InChIKeyBVZPIVSRDJTARG-AWEZNQCLSA-N
MW391.41 g/mol
LogP5.29
Rot. Bonds2

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

(4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 1267490) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is (4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID1267490
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC Name(4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)12-4-1-5-13(10-12)24-15-6-2-7-16(25)19(15)14(11-18(24)26)17-8-3-9-27-17/h1,3-5,8-10,14H,2,6-7,11H2/t14-/m0/s1
InChIKeyBVZPIVSRDJTARG-AWEZNQCLSA-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

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

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Related Compounds

(4R)-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1263426
1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3309722
1-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4001840
(4S)-4-(2-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266986
4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496691
(4R)-2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1035530
4-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinazolin-4-yl]-3-fluorobenzonitrile
CID 90373607
9-(4-hydroxy-3-methoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 1308983
3-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23802301
4-(4-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4871299
(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266571
4-[2-methylidene-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinazolin-4-yl]-3-methylsulfanylbenzonitrile
CID 129017114

Frequently Asked Questions

What is the IUPAC name of (4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of (4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 1267490) is (4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for (4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for (4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is BVZPIVSRDJTARG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c21-20(22,23)12-4-1-5-13(10-12)24-15-6-2-7-16(25)19(15)14(11-18(24)26)17-8-3-9-27-17/h1,3-5,8-10,14H,2,6-7,11H2/t14-/m0/s1.
What are the key properties of (4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
(4R)-4-thiophen-2-yl-1-[3-(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-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 1267490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).