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

C23H20N4O2 — CID 126048923

IUPACN-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1
InChIInChI=1S/C23H20N4O2/c1-27(2)22-13-12-17(29-22)15-24-26-23(28)19-14-21(16-8-4-3-5-9-16)25-20-11-7-6-10-18(19)20/h3-15H,1-2H3,(H,26,28)/b24-15+
InChIKeyXRHYVQCGDUCKLE-BUVRLJJBSA-N
MW384.44 g/mol
LogP4.32
Rot. Bonds5

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

N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126048923) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126048923
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1
InChIInChI=1S/C23H20N4O2/c1-27(2)22-13-12-17(29-22)15-24-26-23(28)19-14-21(16-8-4-3-5-9-16)25-20-11-7-6-10-18(19)20/h3-15H,1-2H3,(H,26,28)/b24-15+
InChIKeyXRHYVQCGDUCKLE-BUVRLJJBSA-N
XLogP4.32
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', '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

N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 3485372
2-(4-methylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933711
N-[(Z)-[5-(5-chloro-2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126045050
2-(3,4-dimethylphenyl)-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 1226428
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126042034
3-methyl-4-[5-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126040726
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
N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126050287
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135645959
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884131
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2357095

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126048923) is N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1.
What is the InChIKey of N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is XRHYVQCGDUCKLE-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27(2)22-13-12-17(29-22)15-24-26-23(28)19-14-21(16-8-4-3-5-9-16)25-20-11-7-6-10-18(19)20/h3-15H,1-2H3,(H,26,28)/b24-15+.
What are the key properties of N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126048923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).