N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide

C17H14N4OS — CID 5405310

IUPACN-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C\c1ccncc1
InChIInChI=1S/C17H14N4OS/c22-16(21-20-11-13-6-9-18-10-7-13)12-23-15-5-1-3-14-4-2-8-19-17(14)15/h1-11H,12H2,(H,21,22)/b20-11-
InChIKeyJPFPGPIRWSLVLC-JAIQZWGSSA-N
MW322.39 g/mol
LogP2.87
Rot. Bonds5

About N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide

N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 5405310) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID5405310
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C\c1ccncc1
InChIInChI=1S/C17H14N4OS/c22-16(21-20-11-13-6-9-18-10-7-13)12-23-15-5-1-3-14-4-2-8-19-17(14)15/h1-11H,12H2,(H,21,22)/b20-11-
InChIKeyJPFPGPIRWSLVLC-JAIQZWGSSA-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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Related Compounds

N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 1240020
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136863963
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435758
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136911345
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 4169698
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5395449
N-(cyclohex-3-en-1-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide
CID 4537470
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide
CID 6895307

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 5405310) is N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)N/N=C\c1ccncc1.
What is the InChIKey of N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is JPFPGPIRWSLVLC-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-16(21-20-11-13-6-9-18-10-7-13)12-23-15-5-1-3-14-4-2-8-19-17(14)15/h1-11H,12H2,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(Z)-pyridin-4-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-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 5405310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).