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

C18H15N3O2S — CID 135403510

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C18H15N3O2S/c22-15-8-6-13(7-9-15)11-20-21-17(23)12-24-16-5-1-3-14-4-2-10-19-18(14)16/h1-11,22H,12H2,(H,21,23)/b20-11+
InChIKeyMMNAGQSSFQKELZ-RGVLZGJSSA-N
MW337.40 g/mol
LogP3.18
Rot. Bonds5

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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 135403510) 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-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID135403510
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C18H15N3O2S/c22-15-8-6-13(7-9-15)11-20-21-17(23)12-24-16-5-1-3-14-4-2-10-19-18(14)16/h1-11,22H,12H2,(H,21,23)/b20-11+
InChIKeyMMNAGQSSFQKELZ-RGVLZGJSSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 135403510) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is MMNAGQSSFQKELZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-15-8-6-13(7-9-15)11-20-21-17(23)12-24-16-5-1-3-14-4-2-10-19-18(14)16/h1-11,22H,12H2,(H,21,23)/b20-11+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-quinolin-8-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-8-ylsulfanylacetamide is sourced from PubChem (CID 135403510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).