2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C23H21N3O4S — CID 70683519

IUPAC2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)c(OC)c3)ccnc2c1
InChIInChI=1S/C23H21N3O4S/c1-14-13-25-23(31-14)26-22(27)10-15-4-5-17(12-21(15)29-3)30-20-8-9-24-19-11-16(28-2)6-7-18(19)20/h4-9,11-13H,10H2,1-3H3,(H,25,26,27)
InChIKeyOZIZBAWFMYRHDD-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.99
Rot. Bonds7

About 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 70683519) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID70683519
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)c(OC)c3)ccnc2c1
InChIInChI=1S/C23H21N3O4S/c1-14-13-25-23(31-14)26-22(27)10-15-4-5-17(12-21(15)29-3)30-20-8-9-24-19-11-16(28-2)6-7-18(19)20/h4-9,11-13H,10H2,1-3H3,(H,25,26,27)
InChIKeyOZIZBAWFMYRHDD-UHFFFAOYSA-N
XLogP4.99
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 70683519) is 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)c(OC)c3)ccnc2c1.
What is the InChIKey of 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OZIZBAWFMYRHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-14-13-25-23(31-14)26-22(27)10-15-4-5-17(12-21(15)29-3)30-20-8-9-24-19-11-16(28-2)6-7-18(19)20/h4-9,11-13H,10H2,1-3H3,(H,25,26,27).
What are the key properties of 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 435.51 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 70683519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).