N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine

C22H15FN2 — CID 170773446

IUPACN-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine
SMILESFc1cccc2cncc(N=C(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C22H15FN2/c23-19-13-7-12-18-14-24-15-20(21(18)19)25-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15H
InChIKeyDHPFGAKTINAVMT-UHFFFAOYSA-N
MW326.37 g/mol
LogP5.54
Rot. Bonds3

About N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine

N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine (PubChem CID 170773446) has the molecular formula C22H15FN2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine
PubChem CID170773446
Molecular FormulaC22H15FN2
Molecular Weight326.37 g/mol
Exact Mass326.12
IUPAC NameN-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine
SMILESFc1cccc2cncc(N=C(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C22H15FN2/c23-19-13-7-12-18-14-24-15-20(21(18)19)25-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15H
InChIKeyDHPFGAKTINAVMT-UHFFFAOYSA-N
XLogP5.54
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.37
LogP ≤ 55.54
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-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine (CID 170773446) is N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine is Fc1cccc2cncc(N=C(c3ccccc3)c3ccccc3)c12.
What is the InChIKey of N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine?
The InChIKey is DHPFGAKTINAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2/c23-19-13-7-12-18-14-24-15-20(21(18)19)25-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15H.
What are the key properties of N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine?
N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine has a molecular weight of 326.37 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 170773446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).