3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C18H11ClN2OS — CID 22638571

IUPAC3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H11ClN2OS/c19-13-7-5-11(6-8-13)18-21-16(10-23-18)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-10H,(H,20,22)
InChIKeyYUQGULJDOSMJFH-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.97
Rot. Bonds2

About 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 22638571) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID22638571
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H11ClN2OS/c19-13-7-5-11(6-8-13)18-21-16(10-23-18)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-10H,(H,20,22)
InChIKeyYUQGULJDOSMJFH-UHFFFAOYSA-N
XLogP4.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 22638571) is 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is YUQGULJDOSMJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-13-7-5-11(6-8-13)18-21-16(10-23-18)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-10H,(H,20,22).
What are the key properties of 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 338.82 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22638571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).