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

C19H15ClN4OS — CID 4641315

IUPACN-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
SMILESCC(Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4OS/c1-12(18(25)21-15-9-7-14(20)8-10-15)26-19-23-22-17-11-6-13-4-2-3-5-16(13)24(17)19/h2-12H,1H3,(H,21,25)
InChIKeyAKJLDBYCELYVGQ-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.66
Rot. Bonds4

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

N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide (PubChem CID 4641315) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
PubChem CID4641315
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC NameN-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
SMILESCC(Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4OS/c1-12(18(25)21-15-9-7-14(20)8-10-15)26-19-23-22-17-11-6-13-4-2-3-5-16(13)24(17)19/h2-12H,1H3,(H,21,25)
InChIKeyAKJLDBYCELYVGQ-UHFFFAOYSA-N
XLogP4.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide (CID 4641315) is N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide is CC(Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
The InChIKey is AKJLDBYCELYVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-12(18(25)21-15-9-7-14(20)8-10-15)26-19-23-22-17-11-6-13-4-2-3-5-16(13)24(17)19/h2-12H,1H3,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide?
N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide has a molecular weight of 382.88 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide is sourced from PubChem (CID 4641315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).