2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide

C23H26BrN3O — CID 50866513

IUPAC2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
SMILESCCN1c2cc(C)c(/C=N\NC(=O)c3ccccc3Br)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H26BrN3O/c1-6-27-21-11-15(2)17(12-19(21)16(3)13-23(27,4)5)14-25-26-22(28)18-9-7-8-10-20(18)24/h7-14H,6H2,1-5H3,(H,26,28)/b25-14-
InChIKeyUDTZABCKVQVFBS-QFEZKATASA-N
MW440.39 g/mol
LogP5.54
Rot. Bonds4

About 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide

2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide (PubChem CID 50866513) has the molecular formula C23H26BrN3O and a molecular weight of 440.39 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
PubChem CID50866513
Molecular FormulaC23H26BrN3O
Molecular Weight440.39 g/mol
Exact Mass439.13
IUPAC Name2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
SMILESCCN1c2cc(C)c(/C=N\NC(=O)c3ccccc3Br)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H26BrN3O/c1-6-27-21-11-15(2)17(12-19(21)16(3)13-23(27,4)5)14-25-26-22(28)18-9-7-8-10-20(18)24/h7-14H,6H2,1-5H3,(H,26,28)/b25-14-
InChIKeyUDTZABCKVQVFBS-QFEZKATASA-N
XLogP5.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.39
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-bromo-N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 133170826
2-bromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50869011
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170086
2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170034
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide
CID 50866726
5-bromo-N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50866585
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50866734
3-hydroxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868530
N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50866711
5-bromo-2-methoxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868736
2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 50866774
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 50866777

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide (CID 50866513) is 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide is CCN1c2cc(C)c(/C=N\NC(=O)c3ccccc3Br)cc2C(C)=CC1(C)C.
What is the InChIKey of 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide?
The InChIKey is UDTZABCKVQVFBS-QFEZKATASA-N. The full InChI is InChI=1S/C23H26BrN3O/c1-6-27-21-11-15(2)17(12-19(21)16(3)13-23(27,4)5)14-25-26-22(28)18-9-7-8-10-20(18)24/h7-14H,6H2,1-5H3,(H,26,28)/b25-14-.
What are the key properties of 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide?
2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 440.39 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 50866513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).