N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C28H26N4O5 — CID 42991259

IUPACN-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C28H26N4O5/c1-17(33)30-20-11-9-18(10-12-20)16-29-32-28(34)22-15-24(31-23-8-6-5-7-21(22)23)19-13-25(35-2)27(37-4)26(14-19)36-3/h5-16H,1-4H3,(H,30,33)(H,32,34)/b29-16+
InChIKeyUNYBOKSUSNMGHM-MUFRIFMGSA-N
MW498.54 g/mol
LogP4.65
Rot. Bonds8

About N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 42991259) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID42991259
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC NameN-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C28H26N4O5/c1-17(33)30-20-11-9-18(10-12-20)16-29-32-28(34)22-15-24(31-23-8-6-5-7-21(22)23)19-13-25(35-2)27(37-4)26(14-19)36-3/h5-16H,1-4H3,(H,30,33)(H,32,34)/b29-16+
InChIKeyUNYBOKSUSNMGHM-MUFRIFMGSA-N
XLogP4.65
TPSA111.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(E)-(3-phenoxyphenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 6901687
2-(4-fluorophenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 42991492
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873349
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 42996080
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2357095
N-(5-acetamido-2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 43052490
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2347243
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 6900372

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 42991259) is N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is UNYBOKSUSNMGHM-MUFRIFMGSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-17(33)30-20-11-9-18(10-12-20)16-29-32-28(34)22-15-24(31-23-8-6-5-7-21(22)23)19-13-25(35-2)27(37-4)26(14-19)36-3/h5-16H,1-4H3,(H,30,33)(H,32,34)/b29-16+.
What are the key properties of N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 42991259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).