N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide

C25H19N3O2S — CID 46927507

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc5ccccc45)cc3)sc2c1
InChIInChI=1S/C25H19N3O2S/c1-30-18-10-11-22-23(15-18)31-25(27-22)28-24(29)14-16-6-8-17(9-7-16)19-12-13-26-21-5-3-2-4-20(19)21/h2-13,15H,14H2,1H3,(H,27,28,29)
InChIKeyDWSSOQQMNMQLLT-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.70
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide (PubChem CID 46927507) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide
PubChem CID46927507
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc5ccccc45)cc3)sc2c1
InChIInChI=1S/C25H19N3O2S/c1-30-18-10-11-22-23(15-18)31-25(27-22)28-24(29)14-16-6-8-17(9-7-16)19-12-13-26-21-5-3-2-4-20(19)21/h2-13,15H,14H2,1H3,(H,27,28,29)
InChIKeyDWSSOQQMNMQLLT-UHFFFAOYSA-N
XLogP5.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide (CID 46927507) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc5ccccc45)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide?
The InChIKey is DWSSOQQMNMQLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-30-18-10-11-22-23(15-18)31-25(27-22)28-24(29)14-16-6-8-17(9-7-16)19-12-13-26-21-5-3-2-4-20(19)21/h2-13,15H,14H2,1H3,(H,27,28,29).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide has a molecular weight of 425.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-quinolin-4-ylphenyl)acetamide is sourced from PubChem (CID 46927507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).