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

C18H14BrN3OS — CID 6882442

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3OS/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)/b21-11+
InChIKeyZXMUFYLFANCRPD-SRZZPIQSSA-N
MW400.30 g/mol
LogP4.24
Rot. Bonds5

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

N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 6882442) has the molecular formula C18H14BrN3OS and a molecular weight of 400.30 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID6882442
Molecular FormulaC18H14BrN3OS
Molecular Weight400.30 g/mol
Exact Mass399.00
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3OS/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)/b21-11+
InChIKeyZXMUFYLFANCRPD-SRZZPIQSSA-N
XLogP4.24
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 54.24
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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Related Compounds

N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(E)-(4-bromophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
CID 6880658
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-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-[(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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 6882442) is N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is ZXMUFYLFANCRPD-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H14BrN3OS/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)/b21-11+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 400.30 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 6882442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).