N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide

C18H14FN3OS — CID 595321

IUPACN-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)NN=Cc1ccc(F)cc1
InChIInChI=1S/C18H14FN3OS/c19-15-8-6-13(7-9-15)11-21-22-17(23)12-24-16-5-1-3-14-4-2-10-20-18(14)16/h1-11H,12H2,(H,22,23)
InChIKeyBIOHSFDIXSBKQM-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.62
Rot. Bonds5

About N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide

N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 595321) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID595321
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)NN=Cc1ccc(F)cc1
InChIInChI=1S/C18H14FN3OS/c19-15-8-6-13(7-9-15)11-21-22-17(23)12-24-16-5-1-3-14-4-2-10-20-18(14)16/h1-11H,12H2,(H,22,23)
InChIKeyBIOHSFDIXSBKQM-UHFFFAOYSA-N
XLogP3.62
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 595321) is N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)NN=Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is BIOHSFDIXSBKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-15-8-6-13(7-9-15)11-21-22-17(23)12-24-16-5-1-3-14-4-2-10-20-18(14)16/h1-11H,12H2,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 339.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 595321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).