2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide

C23H15Cl2N3O2 — CID 135781982

IUPAC2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C23H15Cl2N3O2/c24-15-7-10-18(20(25)11-15)22-12-19(17-3-1-2-4-21(17)27-22)23(30)28-26-13-14-5-8-16(29)9-6-14/h1-13,29H,(H,28,30)/b26-13-
InChIKeyLQMSAQJXXLVKIV-ZMFRSBBQSA-N
MW436.30 g/mol
LogP5.68
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 135781982) has the molecular formula C23H15Cl2N3O2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID135781982
Molecular FormulaC23H15Cl2N3O2
Molecular Weight436.30 g/mol
Exact Mass435.05
IUPAC Name2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C23H15Cl2N3O2/c24-15-7-10-18(20(25)11-15)22-12-19(17-3-1-2-4-21(17)27-22)23(30)28-26-13-14-5-8-16(29)9-6-14/h1-13,29H,(H,28,30)/b26-13-
InChIKeyLQMSAQJXXLVKIV-ZMFRSBBQSA-N
XLogP5.68
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 55.68
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': '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
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 42996080
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6008188
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
3-(2,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135547185
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040566
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505042
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126042034

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 135781982) is 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide is O=C(N/N=C\c1ccc(O)cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is LQMSAQJXXLVKIV-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H15Cl2N3O2/c24-15-7-10-18(20(25)11-15)22-12-19(17-3-1-2-4-21(17)27-22)23(30)28-26-13-14-5-8-16(29)9-6-14/h1-13,29H,(H,28,30)/b26-13-.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 135781982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).