2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

C16H15ClN2OS — CID 22499291

IUPAC2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1
InChIInChI=1S/C16H15ClN2OS/c1-9(2)15-8-21-16(19-15)14-7-12(17)11-5-4-10(20-3)6-13(11)18-14/h4-9H,1-3H3
InChIKeyXQQCKLXQBPEFGM-UHFFFAOYSA-N
MW318.83 g/mol
LogP5.14
Rot. Bonds3

About 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 22499291) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID22499291
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1
InChIInChI=1S/C16H15ClN2OS/c1-9(2)15-8-21-16(19-15)14-7-12(17)11-5-4-10(20-3)6-13(11)18-14/h4-9H,1-3H3
InChIKeyXQQCKLXQBPEFGM-UHFFFAOYSA-N
XLogP5.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.83
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 22499291) is 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1.
What is the InChIKey of 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is XQQCKLXQBPEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-9(2)15-8-21-16(19-15)14-7-12(17)11-5-4-10(20-3)6-13(11)18-14/h4-9H,1-3H3.
What are the key properties of 2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(4-chloro-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 318.83 g/mol, XLogP of 5.14, 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-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 22499291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).