N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide

C17H14N4OS — CID 775616

IUPACN-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)NN=Cc1cccnc1
InChIInChI=1S/C17H14N4OS/c22-16(21-20-11-13-4-2-8-18-10-13)12-23-15-7-1-5-14-6-3-9-19-17(14)15/h1-11H,12H2,(H,21,22)
InChIKeyXNMJLYBOAQIMJK-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.87
Rot. Bonds5

About N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide

N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 775616) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide
PubChem CID775616
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)NN=Cc1cccnc1
InChIInChI=1S/C17H14N4OS/c22-16(21-20-11-13-4-2-8-18-10-13)12-23-15-7-1-5-14-6-3-9-19-17(14)15/h1-11H,12H2,(H,21,22)
InChIKeyXNMJLYBOAQIMJK-UHFFFAOYSA-N
XLogP2.87
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide 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-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide (CID 775616) is N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)NN=Cc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is XNMJLYBOAQIMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-16(21-20-11-13-4-2-8-18-10-13)12-23-15-7-1-5-14-6-3-9-19-17(14)15/h1-11H,12H2,(H,21,22).
What are the key properties of N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide?
N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 322.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 775616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).