N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide

C24H26N4O3S — CID 39758475

IUPACN-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)CCSc2nnc3cc(C)c4cc(C)cc(C)c4n23)c(OC)c1
InChIInChI=1S/C24H26N4O3S/c1-14-10-16(3)23-18(11-14)15(2)12-21-26-27-24(28(21)23)32-9-8-22(29)25-19-7-6-17(30-4)13-20(19)31-5/h6-7,10-13H,8-9H2,1-5H3,(H,25,29)
InChIKeyKGFHBKYXSGUHBY-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.95
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide

N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide (PubChem CID 39758475) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
PubChem CID39758475
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)CCSc2nnc3cc(C)c4cc(C)cc(C)c4n23)c(OC)c1
InChIInChI=1S/C24H26N4O3S/c1-14-10-16(3)23-18(11-14)15(2)12-21-26-27-24(28(21)23)32-9-8-22(29)25-19-7-6-17(30-4)13-20(19)31-5/h6-7,10-13H,8-9H2,1-5H3,(H,25,29)
InChIKeyKGFHBKYXSGUHBY-UHFFFAOYSA-N
XLogP4.95
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]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-(2,5-dimethylphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304393
3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 39758324
N-(3-methoxyphenyl)-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1153321
N-(5-chloro-2-methoxyphenyl)-3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304168
ethyl 4,5-dimethyl-2-[3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate
CID 46304484
N-(3-chloro-4-methoxyphenyl)-3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304169
N-(2-chlorophenyl)-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 16957888
N-(4-morpholin-4-ylsulfonylphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304417
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 39766635
2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 16876580

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide (CID 39758475) is N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide is COc1ccc(NC(=O)CCSc2nnc3cc(C)c4cc(C)cc(C)c4n23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide?
The InChIKey is KGFHBKYXSGUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-14-10-16(3)23-18(11-14)15(2)12-21-26-27-24(28(21)23)32-9-8-22(29)25-19-7-6-17(30-4)13-20(19)31-5/h6-7,10-13H,8-9H2,1-5H3,(H,25,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide has a molecular weight of 450.56 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide is sourced from PubChem (CID 39758475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).