(3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone

C27H17FN2O — CID 102138203

IUPAC(3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone
SMILESO=C(c1cccc(F)c1)c1ccccc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C27H17FN2O/c28-20-12-8-11-19(17-20)27(31)22-14-5-4-13-21(22)26-25(18-9-2-1-3-10-18)29-23-15-6-7-16-24(23)30-26/h1-17H
InChIKeyVEDFABXHNDJJQJ-UHFFFAOYSA-N
MW404.44 g/mol
LogP6.33
Rot. Bonds4

About (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone

(3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone (PubChem CID 102138203) has the molecular formula C27H17FN2O and a molecular weight of 404.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone
PubChem CID102138203
Molecular FormulaC27H17FN2O
Molecular Weight404.44 g/mol
Exact Mass404.13
IUPAC Name(3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone
SMILESO=C(c1cccc(F)c1)c1ccccc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C27H17FN2O/c28-20-12-8-11-19(17-20)27(31)22-14-5-4-13-21(22)26-25(18-9-2-1-3-10-18)29-23-15-6-7-16-24(23)30-26/h1-17H
InChIKeyVEDFABXHNDJJQJ-UHFFFAOYSA-N
XLogP6.33
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone (CID 102138203) is (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone is O=C(c1cccc(F)c1)c1ccccc1-c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone?
The InChIKey is VEDFABXHNDJJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2O/c28-20-12-8-11-19(17-20)27(31)22-14-5-4-13-21(22)26-25(18-9-2-1-3-10-18)29-23-15-6-7-16-24(23)30-26/h1-17H.
What are the key properties of (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone?
(3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone has a molecular weight of 404.44 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(3-phenylquinoxalin-2-yl)phenyl]methanone is sourced from PubChem (CID 102138203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).