2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol

C19H16F2N2O2 — CID 88966986

IUPAC2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol
SMILESCC/C(=N\c1ccccc1O)C(F)(F)c1ccc2cccc(O)c2n1
InChIInChI=1S/C19H16F2N2O2/c1-2-16(22-13-7-3-4-8-14(13)24)19(20,21)17-11-10-12-6-5-9-15(25)18(12)23-17/h3-11,24-25H,2H2,1H3/b22-16+
InChIKeyFZYLUKFZKMWOIY-CJLVFECKSA-N
MW342.35 g/mol
LogP4.92
Rot. Bonds4

About 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol

2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol (PubChem CID 88966986) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol
PubChem CID88966986
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol
SMILESCC/C(=N\c1ccccc1O)C(F)(F)c1ccc2cccc(O)c2n1
InChIInChI=1S/C19H16F2N2O2/c1-2-16(22-13-7-3-4-8-14(13)24)19(20,21)17-11-10-12-6-5-9-15(25)18(12)23-17/h3-11,24-25H,2H2,1H3/b22-16+
InChIKeyFZYLUKFZKMWOIY-CJLVFECKSA-N
XLogP4.92
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol?
The IUPAC name of 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol (CID 88966986) is 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol.
What is the SMILES notation for 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol?
The canonical SMILES for 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol is CC/C(=N\c1ccccc1O)C(F)(F)c1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol?
The InChIKey is FZYLUKFZKMWOIY-CJLVFECKSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-2-16(22-13-7-3-4-8-14(13)24)19(20,21)17-11-10-12-6-5-9-15(25)18(12)23-17/h3-11,24-25H,2H2,1H3/b22-16+.
What are the key properties of 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol?
2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol has a molecular weight of 342.35 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-difluoro-2-(2-hydroxyphenyl)iminobutyl]quinolin-8-ol is sourced from PubChem (CID 88966986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).