N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine

C21H20BrN3 — CID 2404385

IUPACN-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine
SMILESBrc1ccc(/N=C/c2cc3ccccc3nc2N2CCCCC2)cc1
InChIInChI=1S/C21H20BrN3/c22-18-8-10-19(11-9-18)23-15-17-14-16-6-2-3-7-20(16)24-21(17)25-12-4-1-5-13-25/h2-3,6-11,14-15H,1,4-5,12-13H2/b23-15+
InChIKeyLGFPOJUJUHJCBZ-HZHRSRAPSA-N
MW394.32 g/mol
LogP5.74
Rot. Bonds3

About N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine

N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine (PubChem CID 2404385) has the molecular formula C21H20BrN3 and a molecular weight of 394.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine
PubChem CID2404385
Molecular FormulaC21H20BrN3
Molecular Weight394.32 g/mol
Exact Mass393.08
IUPAC NameN-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine
SMILESBrc1ccc(/N=C/c2cc3ccccc3nc2N2CCCCC2)cc1
InChIInChI=1S/C21H20BrN3/c22-18-8-10-19(11-9-18)23-15-17-14-16-6-2-3-7-20(16)24-21(17)25-12-4-1-5-13-25/h2-3,6-11,14-15H,1,4-5,12-13H2/b23-15+
InChIKeyLGFPOJUJUHJCBZ-HZHRSRAPSA-N
XLogP5.74
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.32
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine?
The IUPAC name of N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine (CID 2404385) is N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine is Brc1ccc(/N=C/c2cc3ccccc3nc2N2CCCCC2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine?
The InChIKey is LGFPOJUJUHJCBZ-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H20BrN3/c22-18-8-10-19(11-9-18)23-15-17-14-16-6-2-3-7-20(16)24-21(17)25-12-4-1-5-13-25/h2-3,6-11,14-15H,1,4-5,12-13H2/b23-15+.
What are the key properties of N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine?
N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine has a molecular weight of 394.32 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine is sourced from PubChem (CID 2404385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).