N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide

C19H16N4O5 — CID 135645960

IUPACN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)c1O
InChIInChI=1S/C19H16N4O5/c1-11-7-15(14-5-3-4-6-16(14)21-11)19(25)22-20-10-12-8-13(23(26)27)9-17(28-2)18(12)24/h3-10,24H,1-2H3,(H,22,25)/b20-10+
InChIKeyNALIIICREMKATF-KEBDBYFISA-N
MW380.36 g/mol
LogP2.93
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide

N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 135645960) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID135645960
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)c1O
InChIInChI=1S/C19H16N4O5/c1-11-7-15(14-5-3-4-6-16(14)21-11)19(25)22-20-10-12-8-13(23(26)27)9-17(28-2)18(12)24/h3-10,24H,1-2H3,(H,22,25)/b20-10+
InChIKeyNALIIICREMKATF-KEBDBYFISA-N
XLogP2.93
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.93
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'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-3-carbohydrazide
CID 135589441
N'-(2,3-dimethoxybenzylidene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 9617684
(E)-N'-(3-ethoxy-4-hydroxybenzylidene)-2-phenylquinoline-4-carbohydrazide
CID 135519152
N'-[(E)-(3-Hydroxy-4-methoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6868891
N'-(3-hydroxy-4-methoxybenzylidene)-2-(3-methylphenyl)-4-quinolinecarbohydrazide
CID 6873420
N'-(3-{2-nitrophenyl}-2-propenylidene)-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6874756
N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6884659
N'-(4-hydroxy-3-methoxybenzylidene)-2-(2-isopropoxyphenyl)-4-quinolinecarbohydrazide
CID 135401332
2-(2-ethoxyphenyl)-N'-(4-hydroxy-3-methoxybenzylidene)-4-quinolinecarbohydrazide
CID 135401343
N'-[(1E)-(2-hydroxy-5-nitrophenyl)methylene]-2-phenylquinoline-4-carbohydrazide
CID 135497976
(E)-N'-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-6-methylnicotinohydrazide
CID 135521499
(E)-N'-(4-hydroxy-3-methoxybenzylidene)-2-phenylquinoline-4-carbohydrazide
CID 135555054

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide (CID 135645960) is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide is COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is NALIIICREMKATF-KEBDBYFISA-N. The full InChI is InChI=1S/C19H16N4O5/c1-11-7-15(14-5-3-4-6-16(14)21-11)19(25)22-20-10-12-8-13(23(26)27)9-17(28-2)18(12)24/h3-10,24H,1-2H3,(H,22,25)/b20-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 380.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 135645960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).