1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one

C21H16N2O2S — CID 157346419

IUPAC1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)cs1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H16N2O2S/c24-18(16-9-8-15-7-4-12-22-20(15)21(16)25)10-11-19-23-17(13-26-19)14-5-2-1-3-6-14/h1-9,12-13,25H,10-11H2
InChIKeyBHAHVLPVBKTLOZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.88
Rot. Bonds5

About 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one

1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 157346419) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
PubChem CID157346419
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)cs1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H16N2O2S/c24-18(16-9-8-15-7-4-12-22-20(15)21(16)25)10-11-19-23-17(13-26-19)14-5-2-1-3-6-14/h1-9,12-13,25H,10-11H2
InChIKeyBHAHVLPVBKTLOZ-UHFFFAOYSA-N
XLogP4.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-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 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one (CID 157346419) is 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nc(-c2ccccc2)cs1)c1ccc2cccnc2c1O.
What is the InChIKey of 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is BHAHVLPVBKTLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-18(16-9-8-15-7-4-12-22-20(15)21(16)25)10-11-19-23-17(13-26-19)14-5-2-1-3-6-14/h1-9,12-13,25H,10-11H2.
What are the key properties of 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one?
1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 360.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 157346419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).