6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine

C20H14BrN3O — CID 3328519

IUPAC6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine
SMILESBrc1ccc2nc(NN=Cc3ccco3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H14BrN3O/c21-15-8-9-19-18(11-15)17(14-5-2-1-3-6-14)12-20(23-19)24-22-13-16-7-4-10-25-16/h1-13H,(H,23,24)
InChIKeyGFBIBLNKJMLQDX-UHFFFAOYSA-N
MW392.26 g/mol
LogP5.70
Rot. Bonds4

About 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine

6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine (PubChem CID 3328519) has the molecular formula C20H14BrN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine
PubChem CID3328519
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC Name6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine
SMILESBrc1ccc2nc(NN=Cc3ccco3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H14BrN3O/c21-15-8-9-19-18(11-15)17(14-5-2-1-3-6-14)12-20(23-19)24-22-13-16-7-4-10-25-16/h1-13H,(H,23,24)
InChIKeyGFBIBLNKJMLQDX-UHFFFAOYSA-N
XLogP5.70
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.70
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 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine?
The IUPAC name of 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine (CID 3328519) is 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine.
What is the SMILES notation for 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine?
The canonical SMILES for 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine is Brc1ccc2nc(NN=Cc3ccco3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine?
The InChIKey is GFBIBLNKJMLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O/c21-15-8-9-19-18(11-15)17(14-5-2-1-3-6-14)12-20(23-19)24-22-13-16-7-4-10-25-16/h1-13H,(H,23,24).
What are the key properties of 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine?
6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine has a molecular weight of 392.26 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine is sourced from PubChem (CID 3328519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).