N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide

C27H17Cl2N3O2 — CID 126042034

IUPACN-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C27H17Cl2N3O2/c28-18-10-12-23(29)22(14-18)26-13-11-19(34-26)16-30-32-27(33)21-15-25(17-6-2-1-3-7-17)31-24-9-5-4-8-20(21)24/h1-16H,(H,32,33)/b30-16+
InChIKeyJNZDVUVJABRIPB-OKCVXOCRSA-N
MW486.36 g/mol
LogP7.23
Rot. Bonds5

About N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126042034) has the molecular formula C27H17Cl2N3O2 and a molecular weight of 486.36 g/mol. Its IUPAC name is N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126042034
Molecular FormulaC27H17Cl2N3O2
Molecular Weight486.36 g/mol
Exact Mass485.07
IUPAC NameN-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C27H17Cl2N3O2/c28-18-10-12-23(29)22(14-18)26-13-11-19(34-26)16-30-32-27(33)21-15-25(17-6-2-1-3-7-17)31-24-9-5-4-8-20(21)24/h1-16H,(H,32,33)/b30-16+
InChIKeyJNZDVUVJABRIPB-OKCVXOCRSA-N
XLogP7.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.36
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-(5-chloro-2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126045050
2-(4-tert-butylphenyl)-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]quinoline-4-carboxamide
CID 6007197
2-(4-tert-butylphenyl)-N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]quinoline-4-carboxamide
CID 4089934
3-methyl-4-[5-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126040726
N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126050287
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048923
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126054425
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 3105317
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781982

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126042034) is N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is JNZDVUVJABRIPB-OKCVXOCRSA-N. The full InChI is InChI=1S/C27H17Cl2N3O2/c28-18-10-12-23(29)22(14-18)26-13-11-19(34-26)16-30-32-27(33)21-15-25(17-6-2-1-3-7-17)31-24-9-5-4-8-20(21)24/h1-16H,(H,32,33)/b30-16+.
What are the key properties of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 486.36 g/mol, XLogP of 7.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126042034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).