2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide

C28H19FN2O2 — CID 122182363

IUPAC2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide
SMILESO=C(c1ccccc1F)N(c1ccccc1)c1ccnc2ccc(-c3ccc(O)cc3)cc12
InChIInChI=1S/C28H19FN2O2/c29-25-9-5-4-8-23(25)28(33)31(21-6-2-1-3-7-21)27-16-17-30-26-15-12-20(18-24(26)27)19-10-13-22(32)14-11-19/h1-18,32H
InChIKeyLNMQSAWQYAIZEF-UHFFFAOYSA-N
MW434.47 g/mol
LogP6.72
Rot. Bonds4

About 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide

2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide (PubChem CID 122182363) has the molecular formula C28H19FN2O2 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide
PubChem CID122182363
Molecular FormulaC28H19FN2O2
Molecular Weight434.47 g/mol
Exact Mass434.14
IUPAC Name2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide
SMILESO=C(c1ccccc1F)N(c1ccccc1)c1ccnc2ccc(-c3ccc(O)cc3)cc12
InChIInChI=1S/C28H19FN2O2/c29-25-9-5-4-8-23(25)28(33)31(21-6-2-1-3-7-21)27-16-17-30-26-15-12-20(18-24(26)27)19-10-13-22(32)14-11-19/h1-18,32H
InChIKeyLNMQSAWQYAIZEF-UHFFFAOYSA-N
XLogP6.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide?
The IUPAC name of 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide (CID 122182363) is 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide?
The canonical SMILES for 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide is O=C(c1ccccc1F)N(c1ccccc1)c1ccnc2ccc(-c3ccc(O)cc3)cc12.
What is the InChIKey of 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide?
The InChIKey is LNMQSAWQYAIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O2/c29-25-9-5-4-8-23(25)28(33)31(21-6-2-1-3-7-21)27-16-17-30-26-15-12-20(18-24(26)27)19-10-13-22(32)14-11-19/h1-18,32H.
What are the key properties of 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide?
2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide has a molecular weight of 434.47 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 122182363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).