N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide

C18H14ClN3O2S — CID 136911345

IUPACN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C\c1cc(Cl)ccc1O
InChIInChI=1S/C18H14ClN3O2S/c19-14-6-7-15(23)13(9-14)10-21-22-17(24)11-25-16-5-1-3-12-4-2-8-20-18(12)16/h1-10,23H,11H2,(H,22,24)/b21-10-
InChIKeySJUKQPNAICEZAH-FBHDLOMBSA-N
MW371.85 g/mol
LogP3.84
Rot. Bonds5

About N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide

N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 136911345) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID136911345
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C\c1cc(Cl)ccc1O
InChIInChI=1S/C18H14ClN3O2S/c19-14-6-7-15(23)13(9-14)10-21-22-17(24)11-25-16-5-1-3-12-4-2-8-20-18(12)16/h1-10,23H,11H2,(H,22,24)/b21-10-
InChIKeySJUKQPNAICEZAH-FBHDLOMBSA-N
XLogP3.84
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(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-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 4169698
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-quinolin-8-ylthiourea
CID 136766500
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 135673668
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 135444081
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435758
2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 5344847
2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 2223074

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 136911345) is N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)N/N=C\c1cc(Cl)ccc1O.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is SJUKQPNAICEZAH-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-14-6-7-15(23)13(9-14)10-21-22-17(24)11-25-16-5-1-3-12-4-2-8-20-18(12)16/h1-10,23H,11H2,(H,22,24)/b21-10-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 371.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 136911345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).