N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide

C23H24N4O2S — CID 55309097

IUPACN-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide
SMILESCOc1ccc2c(C)cc3nnc(SC(C)C(=O)N(C)Cc4ccccc4)n3c2c1
InChIInChI=1S/C23H24N4O2S/c1-15-12-21-24-25-23(27(21)20-13-18(29-4)10-11-19(15)20)30-16(2)22(28)26(3)14-17-8-6-5-7-9-17/h5-13,16H,14H2,1-4H3
InChIKeyUOQHSUHBQWUISL-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.34
Rot. Bonds6

About N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide

N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide (PubChem CID 55309097) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide
PubChem CID55309097
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide
SMILESCOc1ccc2c(C)cc3nnc(SC(C)C(=O)N(C)Cc4ccccc4)n3c2c1
InChIInChI=1S/C23H24N4O2S/c1-15-12-21-24-25-23(27(21)20-13-18(29-4)10-11-19(15)20)30-16(2)22(28)26(3)14-17-8-6-5-7-9-17/h5-13,16H,14H2,1-4H3
InChIKeyUOQHSUHBQWUISL-UHFFFAOYSA-N
XLogP4.34
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide?
The IUPAC name of N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide (CID 55309097) is N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide is COc1ccc2c(C)cc3nnc(SC(C)C(=O)N(C)Cc4ccccc4)n3c2c1.
What is the InChIKey of N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide?
The InChIKey is UOQHSUHBQWUISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-15-12-21-24-25-23(27(21)20-13-18(29-4)10-11-19(15)20)30-16(2)22(28)26(3)14-17-8-6-5-7-9-17/h5-13,16H,14H2,1-4H3.
What are the key properties of N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide?
N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide has a molecular weight of 420.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide is sourced from PubChem (CID 55309097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).