2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide

C23H14ClI2N3O2 — CID 136658791

IUPAC2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(NN=Cc1cc(I)c(O)c(I)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H14ClI2N3O2/c24-15-7-5-14(6-8-15)21-11-17(16-3-1-2-4-20(16)28-21)23(31)29-27-12-13-9-18(25)22(30)19(26)10-13/h1-12,30H,(H,29,31)
InChIKeyMPLWQYWVGPFUCW-UHFFFAOYSA-N
MW653.65 g/mol
LogP6.23
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 136658791) has the molecular formula C23H14ClI2N3O2 and a molecular weight of 653.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID136658791
Molecular FormulaC23H14ClI2N3O2
Molecular Weight653.65 g/mol
Exact Mass652.89
IUPAC Name2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(NN=Cc1cc(I)c(O)c(I)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H14ClI2N3O2/c24-15-7-5-14(6-8-15)21-11-17(16-3-1-2-4-20(16)28-21)23(31)29-27-12-13-9-18(25)22(30)19(26)10-13/h1-12,30H,(H,29,31)
InChIKeyMPLWQYWVGPFUCW-UHFFFAOYSA-N
XLogP6.23
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.65
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
CID 1012448
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
2-(4-chlorophenyl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6006642
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046703
2-(4-fluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 3482852
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 137150933
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide (CID 136658791) is 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide is O=C(NN=Cc1cc(I)c(O)c(I)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is MPLWQYWVGPFUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClI2N3O2/c24-15-7-5-14(6-8-15)21-11-17(16-3-1-2-4-20(16)28-21)23(31)29-27-12-13-9-18(25)22(30)19(26)10-13/h1-12,30H,(H,29,31).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 653.65 g/mol, XLogP of 6.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 136658791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).