7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide

C14H8ClF3N4O2S — CID 43860319

IUPAC7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide
SMILESCc1c(Cl)ccc2c(=O)c(C(=O)Nc3nnc(C(F)(F)F)s3)c[nH]c12
InChIInChI=1S/C14H8ClF3N4O2S/c1-5-8(15)3-2-6-9(5)19-4-7(10(6)23)11(24)20-13-22-21-12(25-13)14(16,17)18/h2-4H,1H3,(H,19,23)(H,20,22,24)
InChIKeySUHGWVATPDAZKZ-UHFFFAOYSA-N
MW388.76 g/mol
LogP3.61
Rot. Bonds2

About 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide

7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide (PubChem CID 43860319) has the molecular formula C14H8ClF3N4O2S and a molecular weight of 388.76 g/mol. Its IUPAC name is 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide
PubChem CID43860319
Molecular FormulaC14H8ClF3N4O2S
Molecular Weight388.76 g/mol
Exact Mass388.00
IUPAC Name7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide
SMILESCc1c(Cl)ccc2c(=O)c(C(=O)Nc3nnc(C(F)(F)F)s3)c[nH]c12
InChIInChI=1S/C14H8ClF3N4O2S/c1-5-8(15)3-2-6-9(5)19-4-7(10(6)23)11(24)20-13-22-21-12(25-13)14(16,17)18/h2-4H,1H3,(H,19,23)(H,20,22,24)
InChIKeySUHGWVATPDAZKZ-UHFFFAOYSA-N
XLogP3.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.76
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2225350
3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
CID 46398194
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43860282
N-(7-chloro-2,8-dimethylquinolin-4-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 43860381
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
CID 6467691
3-(2-chlorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 3384885
6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 154798288
1-(3-bromophenyl)-2,5-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrole-3-carboxamide
CID 52725726
2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38782502

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide?
The IUPAC name of 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide (CID 43860319) is 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide is Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3nnc(C(F)(F)F)s3)c[nH]c12.
What is the InChIKey of 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide?
The InChIKey is SUHGWVATPDAZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O2S/c1-5-8(15)3-2-6-9(5)19-4-7(10(6)23)11(24)20-13-22-21-12(25-13)14(16,17)18/h2-4H,1H3,(H,19,23)(H,20,22,24).
What are the key properties of 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide?
7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide has a molecular weight of 388.76 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43860319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).