N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

C18H14N4O5 — CID 137173454

IUPACN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C18H14N4O5/c23-15-7-6-14(22(25)26)9-13(15)10-20-21-17(24)11-27-16-5-1-3-12-4-2-8-19-18(12)16/h1-10,23H,11H2,(H,21,24)/b20-10-
InChIKeyFULFPCNVCRSVIK-JMIUGGIZSA-N
MW366.33 g/mol
LogP2.38
Rot. Bonds6

About N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 137173454) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID137173454
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC NameN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C18H14N4O5/c23-15-7-6-14(22(25)26)9-13(15)10-20-21-17(24)11-27-16-5-1-3-12-4-2-8-19-18(12)16/h1-10,23H,11H2,(H,21,24)/b20-10-
InChIKeyFULFPCNVCRSVIK-JMIUGGIZSA-N
XLogP2.38
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
2-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135716427
2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3481888
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135606645
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4216136
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135560373
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137047432
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 136824462
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135604043

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (CID 137173454) is N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is O=C(COc1cccc2cccnc12)N/N=C\c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is FULFPCNVCRSVIK-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H14N4O5/c23-15-7-6-14(22(25)26)9-13(15)10-20-21-17(24)11-27-16-5-1-3-12-4-2-8-19-18(12)16/h1-10,23H,11H2,(H,21,24)/b20-10-.
What are the key properties of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 366.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 137173454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).