N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C25H21N3O3 — CID 6880179

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C25H21N3O3/c1-30-19-13-12-18(24(14-19)31-2)16-26-28-25(29)21-15-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16H,1-2H3,(H,28,29)/b26-16+
InChIKeyPXCBOEGTVNOJJC-WGOQTCKBSA-N
MW411.46 g/mol
LogP4.68
Rot. Bonds6

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 6880179) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID6880179
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C25H21N3O3/c1-30-19-13-12-18(24(14-19)31-2)16-26-28-25(29)21-15-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16H,1-2H3,(H,28,29)/b26-16+
InChIKeyPXCBOEGTVNOJJC-WGOQTCKBSA-N
XLogP4.68
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 6880179) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is PXCBOEGTVNOJJC-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-30-19-13-12-18(24(14-19)31-2)16-26-28-25(29)21-15-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16H,1-2H3,(H,28,29)/b26-16+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 6880179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).