N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide

C17H14N4OS — CID 6882265

IUPACN-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C/c1cccnc1
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)/b20-11+
InChIKeyXNMJLYBOAQIMJK-RGVLZGJSSA-N
MW322.39 g/mol
LogP2.87
Rot. Bonds5

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

N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 6882265) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID6882265
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C/c1cccnc1
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)/b20-11+
InChIKeyXNMJLYBOAQIMJK-RGVLZGJSSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 6882265) is N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)N/N=C/c1cccnc1.
What is the InChIKey of N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is XNMJLYBOAQIMJK-RGVLZGJSSA-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)/b20-11+.
What are the key properties of N-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(E)-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-[(E)-pyridin-3-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 6882265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).