2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C21H18N4O2S — CID 1219889

IUPAC2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-3-27-15-10-8-14(9-11-15)19-12-17(16-6-4-5-7-18(16)22-19)20(26)23-21-25-24-13(2)28-21/h4-12H,3H2,1-2H3,(H,23,25,26)
InChIKeySCHYNPHXJBTOQB-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.71
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 1219889) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID1219889
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-3-27-15-10-8-14(9-11-15)19-12-17(16-6-4-5-7-18(16)22-19)20(26)23-21-25-24-13(2)28-21/h4-12H,3H2,1-2H3,(H,23,25,26)
InChIKeySCHYNPHXJBTOQB-UHFFFAOYSA-N
XLogP4.71
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 1219889) is 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is SCHYNPHXJBTOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-3-27-15-10-8-14(9-11-15)19-12-17(16-6-4-5-7-18(16)22-19)20(26)23-21-25-24-13(2)28-21/h4-12H,3H2,1-2H3,(H,23,25,26).
What are the key properties of 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1219889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).