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

C24H20N4O2 — CID 6874743

IUPAC2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)c2ccccc2n1
InChIInChI=1S/C24H20N4O2/c1-2-30-23-12-6-4-10-19(23)22-14-20(18-9-3-5-11-21(18)27-22)24(29)28-26-16-17-8-7-13-25-15-17/h3-16H,2H2,1H3,(H,28,29)/b26-16+
InChIKeyPITOYURYROBWTG-WGOQTCKBSA-N
MW396.45 g/mol
LogP4.46
Rot. Bonds6

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

2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 6874743) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID6874743
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)c2ccccc2n1
InChIInChI=1S/C24H20N4O2/c1-2-30-23-12-6-4-10-19(23)22-14-20(18-9-3-5-11-21(18)27-22)24(29)28-26-16-17-8-7-13-25-15-17/h3-16H,2H2,1H3,(H,28,29)/b26-16+
InChIKeyPITOYURYROBWTG-WGOQTCKBSA-N
XLogP4.46
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.46
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)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide (CID 6874743) is 2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide is CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)c2ccccc2n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is PITOYURYROBWTG-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-2-30-23-12-6-4-10-19(23)22-14-20(18-9-3-5-11-21(18)27-22)24(29)28-26-16-17-8-7-13-25-15-17/h3-16H,2H2,1H3,(H,28,29)/b26-16+.
What are the key properties of 2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
2-(2-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.46, 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)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6874743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).