2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

C26H24N4O3 — CID 25237317

IUPAC2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3cc(C)ccc3n2)cc1OC
InChIInChI=1S/C26H24N4O3/c1-16-7-9-22-20(12-16)21(26(31)30-29-17(2)19-6-5-11-27-15-19)14-23(28-22)18-8-10-24(32-3)25(13-18)33-4/h5-15H,1-4H3,(H,30,31)/b29-17+
InChIKeyIWLFGYFKYSZPOB-STBIYBPSSA-N
MW440.50 g/mol
LogP4.78
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (PubChem CID 25237317) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
PubChem CID25237317
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3cc(C)ccc3n2)cc1OC
InChIInChI=1S/C26H24N4O3/c1-16-7-9-22-20(12-16)21(26(31)30-29-17(2)19-6-5-11-27-15-19)14-23(28-22)18-8-10-24(32-3)25(13-18)33-4/h5-15H,1-4H3,(H,30,31)/b29-17+
InChIKeyIWLFGYFKYSZPOB-STBIYBPSSA-N
XLogP4.78
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (CID 25237317) is 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3cc(C)ccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The InChIKey is IWLFGYFKYSZPOB-STBIYBPSSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-16-7-9-22-20(12-16)21(26(31)30-29-17(2)19-6-5-11-27-15-19)14-23(28-22)18-8-10-24(32-3)25(13-18)33-4/h5-15H,1-4H3,(H,30,31)/b29-17+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 25237317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).