2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

C25H22N4O2 — CID 25237308

IUPAC2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccnc2)c2ccccc2n1
InChIInChI=1S/C25H22N4O2/c1-3-31-24-13-7-5-11-20(24)23-15-21(19-10-4-6-12-22(19)27-23)25(30)29-28-17(2)18-9-8-14-26-16-18/h4-16H,3H2,1-2H3,(H,29,30)/b28-17+
InChIKeyMBSPYMKXLCUOCP-OGLMXYFKSA-N
MW410.48 g/mol
LogP4.85
Rot. Bonds6

About 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (PubChem CID 25237308) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
PubChem CID25237308
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccnc2)c2ccccc2n1
InChIInChI=1S/C25H22N4O2/c1-3-31-24-13-7-5-11-20(24)23-15-21(19-10-4-6-12-22(19)27-23)25(30)29-28-17(2)18-9-8-14-26-16-18/h4-16H,3H2,1-2H3,(H,29,30)/b28-17+
InChIKeyMBSPYMKXLCUOCP-OGLMXYFKSA-N
XLogP4.85
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.85
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 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (CID 25237308) is 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccnc2)c2ccccc2n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The InChIKey is MBSPYMKXLCUOCP-OGLMXYFKSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-3-31-24-13-7-5-11-20(24)23-15-21(19-10-4-6-12-22(19)27-23)25(30)29-28-17(2)18-9-8-14-26-16-18/h4-16H,3H2,1-2H3,(H,29,30)/b28-17+.
What are the key properties of 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 25237308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).