5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one

C28H19F2NO2 — CID 166442733

IUPAC5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C28H19F2NO2/c1-33-23-12-6-19(7-13-23)25-16-27(32)28-24(18-4-10-22(30)11-5-18)14-20(15-26(28)31-25)17-2-8-21(29)9-3-17/h2-16H,1H3,(H,31,32)
InChIKeySSXFCPIPUCBVGG-UHFFFAOYSA-N
MW439.46 g/mol
LogP6.82
Rot. Bonds4

About 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one

5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one (PubChem CID 166442733) has the molecular formula C28H19F2NO2 and a molecular weight of 439.46 g/mol. Its IUPAC name is 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one
PubChem CID166442733
Molecular FormulaC28H19F2NO2
Molecular Weight439.46 g/mol
Exact Mass439.14
IUPAC Name5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C28H19F2NO2/c1-33-23-12-6-19(7-13-23)25-16-27(32)28-24(18-4-10-22(30)11-5-18)14-20(15-26(28)31-25)17-2-8-21(29)9-3-17/h2-16H,1H3,(H,31,32)
InChIKeySSXFCPIPUCBVGG-UHFFFAOYSA-N
XLogP6.82
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.46
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one (CID 166442733) is 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one is COc1ccc(-c2cc(=O)c3c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)cc3[nH]2)cc1.
What is the InChIKey of 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one?
The InChIKey is SSXFCPIPUCBVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F2NO2/c1-33-23-12-6-19(7-13-23)25-16-27(32)28-24(18-4-10-22(30)11-5-18)14-20(15-26(28)31-25)17-2-8-21(29)9-3-17/h2-16H,1H3,(H,31,32).
What are the key properties of 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one?
5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one has a molecular weight of 439.46 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 166442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).