8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one

C20H23ClN2O3S — CID 58545575

IUPAC8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one
SMILESCOC(C)COc1ccc2c(=O)cc(-c3csc(CC(C)C)n3)[nH]c2c1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-11(2)7-18-22-15(10-27-18)14-8-16(24)13-5-6-17(19(21)20(13)23-14)26-9-12(3)25-4/h5-6,8,10-12H,7,9H2,1-4H3,(H,23,24)
InChIKeyFZPKUZRGPZGLHM-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.92
Rot. Bonds7

About 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one

8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one (PubChem CID 58545575) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one
PubChem CID58545575
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one
SMILESCOC(C)COc1ccc2c(=O)cc(-c3csc(CC(C)C)n3)[nH]c2c1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-11(2)7-18-22-15(10-27-18)14-8-16(24)13-5-6-17(19(21)20(13)23-14)26-9-12(3)25-4/h5-6,8,10-12H,7,9H2,1-4H3,(H,23,24)
InChIKeyFZPKUZRGPZGLHM-UHFFFAOYSA-N
XLogP4.92
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one (CID 58545575) is 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one is COC(C)COc1ccc2c(=O)cc(-c3csc(CC(C)C)n3)[nH]c2c1Cl.
What is the InChIKey of 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one?
The InChIKey is FZPKUZRGPZGLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-11(2)7-18-22-15(10-27-18)14-8-16(24)13-5-6-17(19(21)20(13)23-14)26-9-12(3)25-4/h5-6,8,10-12H,7,9H2,1-4H3,(H,23,24).
What are the key properties of 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one?
8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one has a molecular weight of 406.94 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(2-methoxypropoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 58545575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).