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

C18H15N3O2S — CID 135403117

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C18H15N3O2S/c22-15-8-5-13(6-9-15)11-19-21-17(23)12-24-18-10-7-14-3-1-2-4-16(14)20-18/h1-11,22H,12H2,(H,21,23)/b19-11+
InChIKeyVRXRARQBURXCSM-YBFXNURJSA-N
MW337.40 g/mol
LogP3.18
Rot. Bonds5

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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 135403117) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
PubChem CID135403117
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C18H15N3O2S/c22-15-8-5-13(6-9-15)11-19-21-17(23)12-24-18-10-7-14-3-1-2-4-16(14)20-18/h1-11,22H,12H2,(H,21,23)/b19-11+
InChIKeyVRXRARQBURXCSM-YBFXNURJSA-N
XLogP3.18
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(1E)-(2-hydroxyphenyl)methylene]-2-(quinolin-2-ylthio)acetohydrazide
CID 135603957
2-(2-Dimethylaminoethylthio)-3-(p-hydroxyphenyl)quinoline hydrochloride
CID 13200283
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 24988481
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(quinolin-8-ylsulfanyl)acetohydrazide
CID 135403510
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 9564523
(6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetic acid benzylidene-hydrazide
CID 9564537
N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 56663512
N-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 56666362
N-[(E)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 56673263
2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N''-[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide
CID 135460565
(4-Methyl-quinolin-2-ylsulfanyl)-acetic acid (2,4-dihydroxy-benzylidene)-hydrazide
CID 135468566
N'-[(1E)-(2-methoxyphenyl)methylene]-2-(quinolin-2-ylthio)acetohydrazide
CID 6898485

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide (CID 135403117) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2n1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is VRXRARQBURXCSM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-15-8-5-13(6-9-15)11-19-21-17(23)12-24-18-10-7-14-3-1-2-4-16(14)20-18/h1-11,22H,12H2,(H,21,23)/b19-11+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 337.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 135403117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).