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

C26H24N4O2 — CID 25237304

IUPAC2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cccnc1
InChIInChI=1S/C26H24N4O2/c1-17(2)32-21-10-6-8-19(14-21)25-15-23(22-11-4-5-12-24(22)28-25)26(31)30-29-18(3)20-9-7-13-27-16-20/h4-17H,1-3H3,(H,30,31)/b29-18+
InChIKeyJQPDZTZGEOVFQB-RDRPBHBLSA-N
MW424.50 g/mol
LogP5.24
Rot. Bonds6

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

2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (PubChem CID 25237304) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
PubChem CID25237304
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cccnc1
InChIInChI=1S/C26H24N4O2/c1-17(2)32-21-10-6-8-19(14-21)25-15-23(22-11-4-5-12-24(22)28-25)26(31)30-29-18(3)20-9-7-13-27-16-20/h4-17H,1-3H3,(H,30,31)/b29-18+
InChIKeyJQPDZTZGEOVFQB-RDRPBHBLSA-N
XLogP5.24
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.24
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-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (CID 25237304) is 2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is C/C(=N\NC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cccnc1.
What is the InChIKey of 2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The InChIKey is JQPDZTZGEOVFQB-RDRPBHBLSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17(2)32-21-10-6-8-19(14-21)25-15-23(22-11-4-5-12-24(22)28-25)26(31)30-29-18(3)20-9-7-13-27-16-20/h4-17H,1-3H3,(H,30,31)/b29-18+.
What are the key properties of 2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 25237304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).