4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide

C23H22N4O3S — CID 143651192

IUPAC4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCCc3n[nH]c(=O)s3)cc2)c2c(C)cccc2n1
InChIInChI=1S/C23H22N4O3S/c1-14-4-3-5-19-21(14)17(12-15(2)25-19)13-30-18-8-6-16(7-9-18)22(28)24-11-10-20-26-27-23(29)31-20/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)(H,27,29)
InChIKeyOSEMXYYJCUJXDH-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.55
Rot. Bonds7

About 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide

4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide (PubChem CID 143651192) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
PubChem CID143651192
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCCc3n[nH]c(=O)s3)cc2)c2c(C)cccc2n1
InChIInChI=1S/C23H22N4O3S/c1-14-4-3-5-19-21(14)17(12-15(2)25-19)13-30-18-8-6-16(7-9-18)22(28)24-11-10-20-26-27-23(29)31-20/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)(H,27,29)
InChIKeyOSEMXYYJCUJXDH-UHFFFAOYSA-N
XLogP3.55
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
CID 143650677
4-[(3-methylnaphthalen-1-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
CID 143651214
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-2-phenylethyl]benzamide
CID 143650504
N-[5-anilino-5-oxo-1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pentan-2-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143651052
N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143650486
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide
CID 143650607
4-[(2-methylquinolin-4-yl)methoxy]-N-[6-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclohex-3-en-1-yl]benzamide
CID 143650546
N-[1-benzoyl-3-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143650481
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
5-[[4-(2-methoxyethylcarbamoyl)phenoxy]methyl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376724
2-amino-2-(hydroxymethyl)propane-1,3-diol;N-[[5-(4-methylpiperazin-1-yl)-2,4,6-trioxo-1,3-diazinan-5-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 70036737

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide (CID 143651192) is 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide is Cc1cc(COc2ccc(C(=O)NCCc3n[nH]c(=O)s3)cc2)c2c(C)cccc2n1.
What is the InChIKey of 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide?
The InChIKey is OSEMXYYJCUJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-4-3-5-19-21(14)17(12-15(2)25-19)13-30-18-8-6-16(7-9-18)22(28)24-11-10-20-26-27-23(29)31-20/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)(H,27,29).
What are the key properties of 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide?
4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 143651192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).