2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide

C21H16ClN3OS — CID 2545400

IUPAC2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)Nc1nccs1
InChIInChI=1S/C21H16ClN3OS/c1-13-16(12-19(26)25-21-23-9-10-27-21)20(14-5-3-2-4-6-14)17-11-15(22)7-8-18(17)24-13/h2-11H,12H2,1H3,(H,23,25,26)
InChIKeyLDWOPURYMGIDMT-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.50
Rot. Bonds4

About 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2545400) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2545400
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC Name2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)Nc1nccs1
InChIInChI=1S/C21H16ClN3OS/c1-13-16(12-19(26)25-21-23-9-10-27-21)20(14-5-3-2-4-6-14)17-11-15(22)7-8-18(17)24-13/h2-11H,12H2,1H3,(H,23,25,26)
InChIKeyLDWOPURYMGIDMT-UHFFFAOYSA-N
XLogP5.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 2545400) is 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)Nc1nccs1.
What is the InChIKey of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LDWOPURYMGIDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3OS/c1-13-16(12-19(26)25-21-23-9-10-27-21)20(14-5-3-2-4-6-14)17-11-15(22)7-8-18(17)24-13/h2-11H,12H2,1H3,(H,23,25,26).
What are the key properties of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 393.90 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2545400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).