N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine

C22H14N2O — CID 2368116

IUPACN-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine
SMILESC(=N/c1ccc2oc3ccccc3c2c1)\c1ccc2ncccc2c1
InChIInChI=1S/C22H14N2O/c1-2-6-21-18(5-1)19-13-17(8-10-22(19)25-21)24-14-15-7-9-20-16(12-15)4-3-11-23-20/h1-14H/b24-14+
InChIKeyIYKGTMTZQGCWGI-ZVHZXABRSA-N
MW322.37 g/mol
LogP5.88
Rot. Bonds2

About N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine

N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine (PubChem CID 2368116) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine
PubChem CID2368116
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC NameN-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine
SMILESC(=N/c1ccc2oc3ccccc3c2c1)\c1ccc2ncccc2c1
InChIInChI=1S/C22H14N2O/c1-2-6-21-18(5-1)19-13-17(8-10-22(19)25-21)24-14-15-7-9-20-16(12-15)4-3-11-23-20/h1-14H/b24-14+
InChIKeyIYKGTMTZQGCWGI-ZVHZXABRSA-N
XLogP5.88
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.88
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-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine?
The IUPAC name of N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine (CID 2368116) is N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine.
What is the SMILES notation for N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine?
The canonical SMILES for N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine is C(=N/c1ccc2oc3ccccc3c2c1)\c1ccc2ncccc2c1.
What is the InChIKey of N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine?
The InChIKey is IYKGTMTZQGCWGI-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H14N2O/c1-2-6-21-18(5-1)19-13-17(8-10-22(19)25-21)24-14-15-7-9-20-16(12-15)4-3-11-23-20/h1-14H/b24-14+.
What are the key properties of N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine?
N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine has a molecular weight of 322.37 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine is sourced from PubChem (CID 2368116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).