3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione

C24H16Cl2N2O2S — CID 15988485

IUPAC3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc21
InChIInChI=1S/C24H16Cl2N2O2S/c25-18-7-6-14(8-19(18)26)21-12-31-24(28-21)17-11-16-20(27-23(17)30)9-15(10-22(16)29)13-4-2-1-3-5-13/h1-8,11-12,15H,9-10H2,(H,27,30)
InChIKeyAGKAKCYHHBTWTK-UHFFFAOYSA-N
MW467.38 g/mol
LogP6.38
Rot. Bonds3

About 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione

3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 15988485) has the molecular formula C24H16Cl2N2O2S and a molecular weight of 467.38 g/mol. Its IUPAC name is 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID15988485
Molecular FormulaC24H16Cl2N2O2S
Molecular Weight467.38 g/mol
Exact Mass466.03
IUPAC Name3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc21
InChIInChI=1S/C24H16Cl2N2O2S/c25-18-7-6-14(8-19(18)26)21-12-31-24(28-21)17-11-16-20(27-23(17)30)9-15(10-22(16)29)13-4-2-1-3-5-13/h1-8,11-12,15H,9-10H2,(H,27,30)
InChIKeyAGKAKCYHHBTWTK-UHFFFAOYSA-N
XLogP6.38
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.38
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 15988485) is 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1CC(c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc21.
What is the InChIKey of 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is AGKAKCYHHBTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O2S/c25-18-7-6-14(8-19(18)26)21-12-31-24(28-21)17-11-16-20(27-23(17)30)9-15(10-22(16)29)13-4-2-1-3-5-13/h1-8,11-12,15H,9-10H2,(H,27,30).
What are the key properties of 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 467.38 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 15988485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).