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

C19H16FNO2S — CID 3268929

IUPAC1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1cccs1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H16FNO2S/c20-12-6-8-13(9-7-12)21-15-3-1-4-16(22)19(15)14(11-18(21)23)17-5-2-10-24-17/h2,5-10,14H,1,3-4,11H2
InChIKeyAISWRMOFZCCZJZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.41
Rot. Bonds2

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

1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 3268929) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID3268929
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1cccs1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H16FNO2S/c20-12-6-8-13(9-7-12)21-15-3-1-4-16(22)19(15)14(11-18(21)23)17-5-2-10-24-17/h2,5-10,14H,1,3-4,11H2
InChIKeyAISWRMOFZCCZJZ-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 3268929) is 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1cccs1)CC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is AISWRMOFZCCZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-12-6-8-13(9-7-12)21-15-3-1-4-16(22)19(15)14(11-18(21)23)17-5-2-10-24-17/h2,5-10,14H,1,3-4,11H2.
What are the key properties of 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 341.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 3268929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).