2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

C20H24N2O2S — CID 58212872

IUPAC2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(OC(C)C)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C20H24N2O2S/c1-11(2)16-10-25-20(22-16)15-9-18(24-12(3)4)14-7-8-17(23-6)13(5)19(14)21-15/h7-12H,1-6H3
InChIKeyKYLMIJHZLISIEG-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.59
Rot. Bonds5

About 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 58212872) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID58212872
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(OC(C)C)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C20H24N2O2S/c1-11(2)16-10-25-20(22-16)15-9-18(24-12(3)4)14-7-8-17(23-6)13(5)19(14)21-15/h7-12H,1-6H3
InChIKeyKYLMIJHZLISIEG-UHFFFAOYSA-N
XLogP5.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 58212872) is 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is COc1ccc2c(OC(C)C)cc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is KYLMIJHZLISIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-11(2)16-10-25-20(22-16)15-9-18(24-12(3)4)14-7-8-17(23-6)13(5)19(14)21-15/h7-12H,1-6H3.
What are the key properties of 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 356.49 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-8-methyl-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58212872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).