N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide

C20H17ClN4OS — CID 46303693

IUPACN-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCSc1nnc2ccc3ccccc3n12
InChIInChI=1S/C20H17ClN4OS/c1-13-6-8-15(21)12-16(13)22-19(26)10-11-27-20-24-23-18-9-7-14-4-2-3-5-17(14)25(18)20/h2-9,12H,10-11H2,1H3,(H,22,26)
InChIKeyAAZLYHRAZZQYDZ-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.97
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide

N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide (PubChem CID 46303693) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
PubChem CID46303693
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC NameN-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCSc1nnc2ccc3ccccc3n12
InChIInChI=1S/C20H17ClN4OS/c1-13-6-8-15(21)12-16(13)22-19(26)10-11-27-20-24-23-18-9-7-14-4-2-3-5-17(14)25(18)20/h2-9,12H,10-11H2,1H3,(H,22,26)
InChIKeyAAZLYHRAZZQYDZ-UHFFFAOYSA-N
XLogP4.97
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303692
N-(3,5-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303689
N-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 9125389
N-(3-chlorophenyl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46303914
methyl 4,5-dimethyl-2-[3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]thiophene-3-carboxylate
CID 46303772
3-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 17047273
N-(5-chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23775373
2-[3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 39758131
4-(4-methylphenyl)-2-[3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 46303776
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 4181210
N-(5-chloro-2-methoxyphenyl)-3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304168
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304167

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide (CID 46303693) is N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCSc1nnc2ccc3ccccc3n12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The InChIKey is AAZLYHRAZZQYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-13-6-8-15(21)12-16(13)22-19(26)10-11-27-20-24-23-18-9-7-14-4-2-3-5-17(14)25(18)20/h2-9,12H,10-11H2,1H3,(H,22,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide has a molecular weight of 396.90 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide is sourced from PubChem (CID 46303693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).