N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine

C16H10BrFN2 — CID 2349038

IUPACN-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine
SMILESFc1cc(Br)ccc1/N=C/c1ccc2ncccc2c1
InChIInChI=1S/C16H10BrFN2/c17-13-4-6-16(14(18)9-13)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-10H/b20-10+
InChIKeyOOZVNUYBIHVDLM-KEBDBYFISA-N
MW329.17 g/mol
LogP4.89
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine

N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine (PubChem CID 2349038) has the molecular formula C16H10BrFN2 and a molecular weight of 329.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine
PubChem CID2349038
Molecular FormulaC16H10BrFN2
Molecular Weight329.17 g/mol
Exact Mass328.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine
SMILESFc1cc(Br)ccc1/N=C/c1ccc2ncccc2c1
InChIInChI=1S/C16H10BrFN2/c17-13-4-6-16(14(18)9-13)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-10H/b20-10+
InChIKeyOOZVNUYBIHVDLM-KEBDBYFISA-N
XLogP4.89
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine (CID 2349038) is N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine is Fc1cc(Br)ccc1/N=C/c1ccc2ncccc2c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine?
The InChIKey is OOZVNUYBIHVDLM-KEBDBYFISA-N. The full InChI is InChI=1S/C16H10BrFN2/c17-13-4-6-16(14(18)9-13)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-10H/b20-10+.
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine?
N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine has a molecular weight of 329.17 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-quinolin-6-ylmethanimine is sourced from PubChem (CID 2349038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).