[6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol

C22H15F2NO — CID 90670601

IUPAC[6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccc(F)cc2cc1-c1ccc(F)cc1
InChIInChI=1S/C22H15F2NO/c23-17-8-6-14(7-9-17)19-13-16-12-18(24)10-11-20(16)25-21(19)22(26)15-4-2-1-3-5-15/h1-13,22,26H
InChIKeyYUEMTRQSSBNQHX-UHFFFAOYSA-N
MW347.36 g/mol
LogP5.26
Rot. Bonds3

About [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol

[6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol (PubChem CID 90670601) has the molecular formula C22H15F2NO and a molecular weight of 347.36 g/mol. Its IUPAC name is [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol
PubChem CID90670601
Molecular FormulaC22H15F2NO
Molecular Weight347.36 g/mol
Exact Mass347.11
IUPAC Name[6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccc(F)cc2cc1-c1ccc(F)cc1
InChIInChI=1S/C22H15F2NO/c23-17-8-6-14(7-9-17)19-13-16-12-18(24)10-11-20(16)25-21(19)22(26)15-4-2-1-3-5-15/h1-13,22,26H
InChIKeyYUEMTRQSSBNQHX-UHFFFAOYSA-N
XLogP5.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol?
The IUPAC name of [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol (CID 90670601) is [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol.
What is the SMILES notation for [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol?
The canonical SMILES for [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol is OC(c1ccccc1)c1nc2ccc(F)cc2cc1-c1ccc(F)cc1.
What is the InChIKey of [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol?
The InChIKey is YUEMTRQSSBNQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO/c23-17-8-6-14(7-9-17)19-13-16-12-18(24)10-11-20(16)25-21(19)22(26)15-4-2-1-3-5-15/h1-13,22,26H.
What are the key properties of [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol?
[6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol has a molecular weight of 347.36 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol is sourced from PubChem (CID 90670601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).