N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

C22H16ClN3O3S — CID 126191266

IUPACN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C22H16ClN3O3S/c23-16-6-9-18(10-7-16)30-21-11-8-17(29-21)13-25-26-20(27)14-28-19-5-1-3-15-4-2-12-24-22(15)19/h1-13H,14H2,(H,26,27)/b25-13-
InChIKeyPFHJJMGJMJZABG-MXAYSNPKSA-N
MW437.91 g/mol
LogP5.16
Rot. Bonds7

About N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 126191266) has the molecular formula C22H16ClN3O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID126191266
Molecular FormulaC22H16ClN3O3S
Molecular Weight437.91 g/mol
Exact Mass437.06
IUPAC NameN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C22H16ClN3O3S/c23-16-6-9-18(10-7-16)30-21-11-8-17(29-21)13-25-26-20(27)14-28-19-5-1-3-15-4-2-12-24-22(15)19/h1-13H,14H2,(H,26,27)/b25-13-
InChIKeyPFHJJMGJMJZABG-MXAYSNPKSA-N
XLogP5.16
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 40988830
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126193694
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
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126029705
N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide
CID 6895307
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 1040366
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6897199

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (CID 126191266) is N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is O=C(COc1cccc2cccnc12)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is PFHJJMGJMJZABG-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H16ClN3O3S/c23-16-6-9-18(10-7-16)30-21-11-8-17(29-21)13-25-26-20(27)14-28-19-5-1-3-15-4-2-12-24-22(15)19/h1-13H,14H2,(H,26,27)/b25-13-.
What are the key properties of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 437.91 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 126191266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).