N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

C23H14ClFN4O4 — CID 3469797

IUPACN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H14ClFN4O4/c24-15-9-14(22(30)21(10-15)29(32)33)12-26-28-23(31)18-11-20(13-5-7-16(25)8-6-13)27-19-4-2-1-3-17(18)19/h1-12,30H,(H,28,31)
InChIKeyILEUPCJBIJZENE-UHFFFAOYSA-N
MW464.84 g/mol
LogP5.07
Rot. Bonds5

About N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 3469797) has the molecular formula C23H14ClFN4O4 and a molecular weight of 464.84 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID3469797
Molecular FormulaC23H14ClFN4O4
Molecular Weight464.84 g/mol
Exact Mass464.07
IUPAC NameN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H14ClFN4O4/c24-15-9-14(22(30)21(10-15)29(32)33)12-26-28-23(31)18-11-20(13-5-7-16(25)8-6-13)27-19-4-2-1-3-17(18)19/h1-12,30H,(H,28,31)
InChIKeyILEUPCJBIJZENE-UHFFFAOYSA-N
XLogP5.07
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.84
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 137150933
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
2-(4-fluorophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide
CID 16553728
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 16959593
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3961948
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
2-(4-fluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 3482852
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3897385
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 3469797) is N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is ILEUPCJBIJZENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4O4/c24-15-9-14(22(30)21(10-15)29(32)33)12-26-28-23(31)18-11-20(13-5-7-16(25)8-6-13)27-19-4-2-1-3-17(18)19/h1-12,30H,(H,28,31).
What are the key properties of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 464.84 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3469797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).