2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide

C22H17ClN4OS — CID 1261360

IUPAC2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)Nc3nnc(C4CC4)s3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C22H17ClN4OS/c1-12-5-4-7-14-16(20(28)25-22-27-26-21(29-22)13-9-10-13)11-18(24-19(12)14)15-6-2-3-8-17(15)23/h2-8,11,13H,9-10H2,1H3,(H,25,27,28)
InChIKeyKQDWBAQQJQARIU-UHFFFAOYSA-N
MW420.93 g/mol
LogP5.84
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide

2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide (PubChem CID 1261360) has the molecular formula C22H17ClN4OS and a molecular weight of 420.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide
PubChem CID1261360
Molecular FormulaC22H17ClN4OS
Molecular Weight420.93 g/mol
Exact Mass420.08
IUPAC Name2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)Nc3nnc(C4CC4)s3)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C22H17ClN4OS/c1-12-5-4-7-14-16(20(28)25-22-27-26-21(29-22)13-9-10-13)11-18(24-19(12)14)15-6-2-3-8-17(15)23/h2-8,11,13H,9-10H2,1H3,(H,25,27,28)
InChIKeyKQDWBAQQJQARIU-UHFFFAOYSA-N
XLogP5.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.93
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2090181
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17371730
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24647540
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 8503008
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17218011
N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 17203345
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 24647580
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 29412307

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide (CID 1261360) is 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide is Cc1cccc2c(C(=O)Nc3nnc(C4CC4)s3)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide?
The InChIKey is KQDWBAQQJQARIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4OS/c1-12-5-4-7-14-16(20(28)25-22-27-26-21(29-22)13-9-10-13)11-18(24-19(12)14)15-6-2-3-8-17(15)23/h2-8,11,13H,9-10H2,1H3,(H,25,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide has a molecular weight of 420.93 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide is sourced from PubChem (CID 1261360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).