2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

C17H17ClN2OS — CID 51358651

IUPAC2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C17H17ClN2OS/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13/h5-9H,1-4H3
InChIKeyPNVZYJFBBFNRPK-UHFFFAOYSA-N
MW332.86 g/mol
LogP5.45
Rot. Bonds3

About 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 51358651) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID51358651
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C17H17ClN2OS/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13/h5-9H,1-4H3
InChIKeyPNVZYJFBBFNRPK-UHFFFAOYSA-N
XLogP5.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.86
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole 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 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 51358651) is 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is PNVZYJFBBFNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-9(2)14-8-22-17(20-14)13-7-12(18)11-5-6-15(21-4)10(3)16(11)19-13/h5-9H,1-4H3.
What are the key properties of 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 332.86 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 51358651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).