2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol

C22H15FN2O — CID 164627095

IUPAC2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc2ccccc2nc1-c1ccccc1F
InChIInChI=1S/C22H15FN2O/c23-18-10-4-3-9-17(18)22-20(13-15-7-1-5-11-19(15)25-22)24-14-16-8-2-6-12-21(16)26/h1-14,26H/b24-14+
InChIKeyYAPNOSTYAYBERC-ZVHZXABRSA-N
MW342.37 g/mol
LogP5.50
Rot. Bonds3

About 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol

2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol (PubChem CID 164627095) has the molecular formula C22H15FN2O and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol
PubChem CID164627095
Molecular FormulaC22H15FN2O
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc2ccccc2nc1-c1ccccc1F
InChIInChI=1S/C22H15FN2O/c23-18-10-4-3-9-17(18)22-20(13-15-7-1-5-11-19(15)25-22)24-14-16-8-2-6-12-21(16)26/h1-14,26H/b24-14+
InChIKeyYAPNOSTYAYBERC-ZVHZXABRSA-N
XLogP5.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 148949
CID 148949
CID 2864430
CID 2864430
CID 135411330
CID 135411330
CID 890662
CID 890662
CID 2065030
CID 2065030
CID 741423
CID 741423
CID 135408526
CID 135408526
CID 136045796
CID 136045796
CID 929817
CID 929817
CID 951116
CID 951116
CID 135468583
CID 135468583
CID 830753
CID 830753

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol?
The IUPAC name of 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol (CID 164627095) is 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cc2ccccc2nc1-c1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol?
The InChIKey is YAPNOSTYAYBERC-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H15FN2O/c23-18-10-4-3-9-17(18)22-20(13-15-7-1-5-11-19(15)25-22)24-14-16-8-2-6-12-21(16)26/h1-14,26H/b24-14+.
What are the key properties of 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol?
2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol has a molecular weight of 342.37 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)quinolin-3-yl]iminomethyl]phenol is sourced from PubChem (CID 164627095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).