2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C27H19Cl2N3OS — CID 5072505

IUPAC2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)nc4ccccc34)n2)c(C)c1
InChIInChI=1S/C27H19Cl2N3OS/c1-15-7-9-18(16(2)11-15)25-14-34-27(31-25)32-26(33)21-13-24(20-10-8-17(28)12-22(20)29)30-23-6-4-3-5-19(21)23/h3-14H,1-2H3,(H,31,32,33)
InChIKeyUFRDLFCOKOHXKH-UHFFFAOYSA-N
MW504.44 g/mol
LogP8.20
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 5072505) has the molecular formula C27H19Cl2N3OS and a molecular weight of 504.44 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID5072505
Molecular FormulaC27H19Cl2N3OS
Molecular Weight504.44 g/mol
Exact Mass503.06
IUPAC Name2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)nc4ccccc34)n2)c(C)c1
InChIInChI=1S/C27H19Cl2N3OS/c1-15-7-9-18(16(2)11-15)25-14-34-27(31-25)32-26(33)21-13-24(20-10-8-17(28)12-22(20)29)30-23-6-4-3-5-19(21)23/h3-14H,1-2H3,(H,31,32,33)
InChIKeyUFRDLFCOKOHXKH-UHFFFAOYSA-N
XLogP8.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.44
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701
2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3707825
2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3445405
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
2-(2,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1010315
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 5072505) is 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)nc4ccccc34)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is UFRDLFCOKOHXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3OS/c1-15-7-9-18(16(2)11-15)25-14-34-27(31-25)32-26(33)21-13-24(20-10-8-17(28)12-22(20)29)30-23-6-4-3-5-19(21)23/h3-14H,1-2H3,(H,31,32,33).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 504.44 g/mol, XLogP of 8.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 5072505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).