6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

C13H9ClN4OS — CID 29370670

IUPAC6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)Nc1nncs1
InChIInChI=1S/C13H9ClN4OS/c1-7-10(12(19)17-13-18-15-6-20-13)5-8-4-9(14)2-3-11(8)16-7/h2-6H,1H3,(H,17,18,19)
InChIKeyQRCZVUPHIJMHFL-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.30
Rot. Bonds2

About 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (PubChem CID 29370670) has the molecular formula C13H9ClN4OS and a molecular weight of 304.76 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
PubChem CID29370670
Molecular FormulaC13H9ClN4OS
Molecular Weight304.76 g/mol
Exact Mass304.02
IUPAC Name6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)Nc1nncs1
InChIInChI=1S/C13H9ClN4OS/c1-7-10(12(19)17-13-18-15-6-20-13)5-8-4-9(14)2-3-11(8)16-7/h2-6H,1H3,(H,17,18,19)
InChIKeyQRCZVUPHIJMHFL-UHFFFAOYSA-N
XLogP3.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
CID 46513513
6-chloro-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 30187151
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
CID 36943257
5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 102704945
N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732180
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6469162
6-chloro-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylquinoline-3-carboxamide
CID 37012318
N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
CID 56586435

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (CID 29370670) is 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1nncs1.
What is the InChIKey of 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is QRCZVUPHIJMHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS/c1-7-10(12(19)17-13-18-15-6-20-13)5-8-4-9(14)2-3-11(8)16-7/h2-6H,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 29370670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).