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

C22H15BrN4O — CID 25237210

IUPAC2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H15BrN4O/c23-17-9-7-16(8-10-17)21-12-19(18-5-1-2-6-20(18)26-21)22(28)27-25-14-15-4-3-11-24-13-15/h1-14H,(H,27,28)/b25-14+
InChIKeyFFDDOWCKFPDEPQ-AFUMVMLFSA-N
MW431.29 g/mol
LogP4.82
Rot. Bonds4

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

2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 25237210) has the molecular formula C22H15BrN4O and a molecular weight of 431.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID25237210
Molecular FormulaC22H15BrN4O
Molecular Weight431.29 g/mol
Exact Mass430.04
IUPAC Name2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H15BrN4O/c23-17-9-7-16(8-10-17)21-12-19(18-5-1-2-6-20(18)26-21)22(28)27-25-14-15-4-3-11-24-13-15/h1-14H,(H,27,28)/b25-14+
InChIKeyFFDDOWCKFPDEPQ-AFUMVMLFSA-N
XLogP4.82
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide (CID 25237210) is 2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is FFDDOWCKFPDEPQ-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H15BrN4O/c23-17-9-7-16(8-10-17)21-12-19(18-5-1-2-6-20(18)26-21)22(28)27-25-14-15-4-3-11-24-13-15/h1-14H,(H,27,28)/b25-14+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 25237210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).