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

C22H15BrN4O — CID 6887818

IUPAC2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H15BrN4O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(28)27-25-14-17-5-3-4-12-24-17/h1-14H,(H,27,28)/b25-14+
InChIKeyNKOYTTWZDJNKOM-AFUMVMLFSA-N
MW431.29 g/mol
LogP4.82
Rot. Bonds4

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

2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 6887818) has the molecular formula C22H15BrN4O and a molecular weight of 431.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID6887818
Molecular FormulaC22H15BrN4O
Molecular Weight431.29 g/mol
Exact Mass430.04
IUPAC Name2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H15BrN4O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(28)27-25-14-17-5-3-4-12-24-17/h1-14H,(H,27,28)/b25-14+
InChIKeyNKOYTTWZDJNKOM-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-2-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide (CID 6887818) is 2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is NKOYTTWZDJNKOM-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H15BrN4O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(28)27-25-14-17-5-3-4-12-24-17/h1-14H,(H,27,28)/b25-14+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
2-(4-bromophenyl)-N-[(E)-pyridin-2-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-2-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6887818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).