2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C20H15ClN4OS — CID 1220032

IUPAC2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)s1
InChIInChI=1S/C20H15ClN4OS/c1-2-18-24-25-20(27-18)23-19(26)15-11-17(12-7-9-13(21)10-8-12)22-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,23,25,26)
InChIKeyAYOBOBYAVONSTL-UHFFFAOYSA-N
MW394.89 g/mol
LogP5.22
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 1220032) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID1220032
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)s1
InChIInChI=1S/C20H15ClN4OS/c1-2-18-24-25-20(27-18)23-19(26)15-11-17(12-7-9-13(21)10-8-12)22-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,23,25,26)
InChIKeyAYOBOBYAVONSTL-UHFFFAOYSA-N
XLogP5.22
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.89
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 1220032) is 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is CCc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)s1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is AYOBOBYAVONSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c1-2-18-24-25-20(27-18)23-19(26)15-11-17(12-7-9-13(21)10-8-12)22-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,23,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 394.89 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1220032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).