4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole

C16H15FN2OS — CID 91438319

IUPAC4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2ccc(-c3csc(C(C)C)n3)nc2c1F
InChIInChI=1S/C16H15FN2OS/c1-9(2)16-19-12(8-21-16)11-6-4-10-5-7-13(20-3)14(17)15(10)18-11/h4-9H,1-3H3
InChIKeyRGCKPLODFZNXHP-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.63
Rot. Bonds3

About 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole

4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole (PubChem CID 91438319) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
PubChem CID91438319
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2ccc(-c3csc(C(C)C)n3)nc2c1F
InChIInChI=1S/C16H15FN2OS/c1-9(2)16-19-12(8-21-16)11-6-4-10-5-7-13(20-3)14(17)15(10)18-11/h4-9H,1-3H3
InChIKeyRGCKPLODFZNXHP-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole (CID 91438319) is 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole is COc1ccc2ccc(-c3csc(C(C)C)n3)nc2c1F.
What is the InChIKey of 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is RGCKPLODFZNXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-9(2)16-19-12(8-21-16)11-6-4-10-5-7-13(20-3)14(17)15(10)18-11/h4-9H,1-3H3.
What are the key properties of 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole?
4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 302.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 91438319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).