8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

C16H15ClN2O2S — CID 53401210

IUPAC8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl
InChIInChI=1S/C16H15ClN2O2S/c1-8(2)11-7-22-16(19-11)10-6-12(20)9-4-5-13(21-3)14(17)15(9)18-10/h4-8H,1-3H3,(H,18,20)
InChIKeyUNJWJSFDEJPNML-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.44
Rot. Bonds3

About 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one (PubChem CID 53401210) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
PubChem CID53401210
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl
InChIInChI=1S/C16H15ClN2O2S/c1-8(2)11-7-22-16(19-11)10-6-12(20)9-4-5-13(21-3)14(17)15(9)18-10/h4-8H,1-3H3,(H,18,20)
InChIKeyUNJWJSFDEJPNML-UHFFFAOYSA-N
XLogP4.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The IUPAC name of 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one (CID 53401210) is 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl.
What is the InChIKey of 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The InChIKey is UNJWJSFDEJPNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-8(2)11-7-22-16(19-11)10-6-12(20)9-4-5-13(21-3)14(17)15(9)18-10/h4-8H,1-3H3,(H,18,20).
What are the key properties of 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one has a molecular weight of 334.83 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 53401210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).