6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C17H10ClN3OS — CID 22638603

IUPAC6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C17H10ClN3OS/c18-12-1-2-14-11(7-12)8-13(16(22)20-14)15-9-23-17(21-15)10-3-5-19-6-4-10/h1-9H,(H,20,22)
InChIKeyNYCKILAUMKSIPT-UHFFFAOYSA-N
MW339.81 g/mol
LogP4.37
Rot. Bonds2

About 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 22638603) has the molecular formula C17H10ClN3OS and a molecular weight of 339.81 g/mol. Its IUPAC name is 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID22638603
Molecular FormulaC17H10ClN3OS
Molecular Weight339.81 g/mol
Exact Mass339.02
IUPAC Name6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C17H10ClN3OS/c18-12-1-2-14-11(7-12)8-13(16(22)20-14)15-9-23-17(21-15)10-3-5-19-6-4-10/h1-9H,(H,20,22)
InChIKeyNYCKILAUMKSIPT-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one 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 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 22638603) is 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1-c1csc(-c2ccncc2)n1.
What is the InChIKey of 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is NYCKILAUMKSIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3OS/c18-12-1-2-14-11(7-12)8-13(16(22)20-14)15-9-23-17(21-15)10-3-5-19-6-4-10/h1-9H,(H,20,22).
What are the key properties of 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 339.81 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 22638603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).