2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide

C26H25N3O4 — CID 15990790

IUPAC2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(OC)cc3OC)nc3ccccc23)cc1
InChIInChI=1S/C26H25N3O4/c1-31-18-10-8-17(9-11-18)16-27-26(30)21-15-25(28-22-7-5-4-6-20(21)22)29-23-13-12-19(32-2)14-24(23)33-3/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyYLAMISZOHMEBOI-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.93
Rot. Bonds8

About 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide

2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 15990790) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID15990790
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(OC)cc3OC)nc3ccccc23)cc1
InChIInChI=1S/C26H25N3O4/c1-31-18-10-8-17(9-11-18)16-27-26(30)21-15-25(28-22-7-5-4-6-20(21)22)29-23-13-12-19(32-2)14-24(23)33-3/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyYLAMISZOHMEBOI-UHFFFAOYSA-N
XLogP4.93
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 15990790) is 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccc(OC)cc3OC)nc3ccccc23)cc1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is YLAMISZOHMEBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-31-18-10-8-17(9-11-18)16-27-26(30)21-15-25(28-22-7-5-4-6-20(21)22)29-23-13-12-19(32-2)14-24(23)33-3/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 15990790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).