2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C25H16ClN3OS — CID 2163412

IUPAC2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C25H16ClN3OS/c26-18-12-10-17(11-13-18)22-14-20(19-8-4-5-9-21(19)27-22)24(30)29-25-28-23(15-31-25)16-6-2-1-3-7-16/h1-15H,(H,28,29,30)
InChIKeyFWEBRHMMNYQRTA-UHFFFAOYSA-N
MW441.94 g/mol
LogP6.93
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2163412) has the molecular formula C25H16ClN3OS and a molecular weight of 441.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID2163412
Molecular FormulaC25H16ClN3OS
Molecular Weight441.94 g/mol
Exact Mass441.07
IUPAC Name2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C25H16ClN3OS/c26-18-12-10-17(11-13-18)22-14-20(19-8-4-5-9-21(19)27-22)24(30)29-25-28-23(15-31-25)16-6-2-1-3-7-16/h1-15H,(H,28,29,30)
InChIKeyFWEBRHMMNYQRTA-UHFFFAOYSA-N
XLogP6.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.94
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4641636
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3828512

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 2163412) is 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is FWEBRHMMNYQRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3OS/c26-18-12-10-17(11-13-18)22-14-20(19-8-4-5-9-21(19)27-22)24(30)29-25-28-23(15-31-25)16-6-2-1-3-7-16/h1-15H,(H,28,29,30).
What are the key properties of 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2163412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).