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

C16H10ClFN2 — CID 2358606

IUPACN-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine
SMILESFc1ccc(/N=C/c2ccc3ncccc3c2)c(Cl)c1
InChIInChI=1S/C16H10ClFN2/c17-14-9-13(18)4-6-16(14)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-10H/b20-10+
InChIKeyWUVLRGKDISPXLQ-KEBDBYFISA-N
MW284.72 g/mol
LogP4.78
Rot. Bonds2

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

N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine (PubChem CID 2358606) has the molecular formula C16H10ClFN2 and a molecular weight of 284.72 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine
PubChem CID2358606
Molecular FormulaC16H10ClFN2
Molecular Weight284.72 g/mol
Exact Mass284.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine
SMILESFc1ccc(/N=C/c2ccc3ncccc3c2)c(Cl)c1
InChIInChI=1S/C16H10ClFN2/c17-14-9-13(18)4-6-16(14)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-10H/b20-10+
InChIKeyWUVLRGKDISPXLQ-KEBDBYFISA-N
XLogP4.78
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 54.78
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-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine (CID 2358606) is N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine is Fc1ccc(/N=C/c2ccc3ncccc3c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine?
The InChIKey is WUVLRGKDISPXLQ-KEBDBYFISA-N. The full InChI is InChI=1S/C16H10ClFN2/c17-14-9-13(18)4-6-16(14)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-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine?
N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine has a molecular weight of 284.72 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine is sourced from PubChem (CID 2358606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).