2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one

C21H14FNO — CID 19067574

IUPAC2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
SMILESO=c1c(-c2ccccc2)c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H14FNO/c22-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)21(24)17-8-4-5-9-18(17)23-20/h1-13H,(H,23,24)
InChIKeyCMADFRVAGZYVMF-UHFFFAOYSA-N
MW315.35 g/mol
LogP5.00
Rot. Bonds2

About 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one

2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one (PubChem CID 19067574) has the molecular formula C21H14FNO and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
PubChem CID19067574
Molecular FormulaC21H14FNO
Molecular Weight315.35 g/mol
Exact Mass315.11
IUPAC Name2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
SMILESO=c1c(-c2ccccc2)c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H14FNO/c22-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)21(24)17-8-4-5-9-18(17)23-20/h1-13H,(H,23,24)
InChIKeyCMADFRVAGZYVMF-UHFFFAOYSA-N
XLogP5.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one (CID 19067574) is 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one is O=c1c(-c2ccccc2)c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one?
The InChIKey is CMADFRVAGZYVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO/c22-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)21(24)17-8-4-5-9-18(17)23-20/h1-13H,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one?
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one has a molecular weight of 315.35 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 19067574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).