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

C19H15BrClNO2S — CID 4676628

IUPAC1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl
InChIInChI=1S/C19H15BrClNO2S/c20-12-4-5-15(14(21)8-12)22-16-2-1-3-17(23)19(16)13(9-18(22)24)11-6-7-25-10-11/h4-8,10,13H,1-3,9H2
InChIKeyUIMLJUMZFLLHIF-UHFFFAOYSA-N
MW436.76 g/mol
LogP5.69
Rot. Bonds2

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

1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 4676628) has the molecular formula C19H15BrClNO2S and a molecular weight of 436.76 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID4676628
Molecular FormulaC19H15BrClNO2S
Molecular Weight436.76 g/mol
Exact Mass434.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl
InChIInChI=1S/C19H15BrClNO2S/c20-12-4-5-15(14(21)8-12)22-16-2-1-3-17(23)19(16)13(9-18(22)24)11-6-7-25-10-11/h4-8,10,13H,1-3,9H2
InChIKeyUIMLJUMZFLLHIF-UHFFFAOYSA-N
XLogP5.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.76
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 4676628) is 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is UIMLJUMZFLLHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO2S/c20-12-4-5-15(14(21)8-12)22-16-2-1-3-17(23)19(16)13(9-18(22)24)11-6-7-25-10-11/h4-8,10,13H,1-3,9H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 436.76 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 4676628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).