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

C20H18N4O2S — CID 4641311

IUPACN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nnc2ccc3ccccc3n12
InChIInChI=1S/C20H18N4O2S/c1-13(19(25)21-15-8-4-6-10-17(15)26-2)27-20-23-22-18-12-11-14-7-3-5-9-16(14)24(18)20/h3-13H,1-2H3,(H,21,25)
InChIKeyYCJFMSIAIVOCLR-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.01
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide (PubChem CID 4641311) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
PubChem CID4641311
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nnc2ccc3ccccc3n12
InChIInChI=1S/C20H18N4O2S/c1-13(19(25)21-15-8-4-6-10-17(15)26-2)27-20-23-22-18-12-11-14-7-3-5-9-16(14)24(18)20/h3-13H,1-2H3,(H,21,25)
InChIKeyYCJFMSIAIVOCLR-UHFFFAOYSA-N
XLogP4.01
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide (CID 4641311) is N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide is COc1ccccc1NC(=O)C(C)Sc1nnc2ccc3ccccc3n12.
What is the InChIKey of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The InChIKey is YCJFMSIAIVOCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13(19(25)21-15-8-4-6-10-17(15)26-2)27-20-23-22-18-12-11-14-7-3-5-9-16(14)24(18)20/h3-13H,1-2H3,(H,21,25).
What are the key properties of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide has a molecular weight of 378.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide is sourced from PubChem (CID 4641311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).