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

C20H16N4OS — CID 4079544

IUPAC3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C20H16N4OS/c1-12-17(19(25)22-20-24-23-13(2)26-20)15-10-6-7-11-16(15)21-18(12)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,22,24,25)
InChIKeyZGUBWTAIYFEGBJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.62
Rot. Bonds3

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

3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 4079544) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
PubChem CID4079544
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C20H16N4OS/c1-12-17(19(25)22-20-24-23-13(2)26-20)15-10-6-7-11-16(15)21-18(12)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,22,24,25)
InChIKeyZGUBWTAIYFEGBJ-UHFFFAOYSA-N
XLogP4.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 4101580
methyl 4-methyl-2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4536194
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3497101
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3308982
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 3624127
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-methyl-2-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 3292956
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide (CID 4079544) is 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide is Cc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)s1.
What is the InChIKey of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is ZGUBWTAIYFEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-17(19(25)22-20-24-23-13(2)26-20)15-10-6-7-11-16(15)21-18(12)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,22,24,25).
What are the key properties of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4079544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).