1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one

C21H10F3NO3 — CID 167299880

IUPAC1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one
SMILESO=C(c1c(O)c2c3c(ccc2n(-c2ccccc2)c1=O)C=C=C=C3)C(F)(F)F
InChIInChI=1S/C21H10F3NO3/c22-21(23,24)19(27)17-18(26)16-14-9-5-4-6-12(14)10-11-15(16)25(20(17)28)13-7-2-1-3-8-13/h1-3,6-11,26H
InChIKeyGOIJGQRZVIFPRJ-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.24
Rot. Bonds2

About 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one

1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one (PubChem CID 167299880) has the molecular formula C21H10F3NO3 and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one.

Molecular Properties

Compound Name1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one
PubChem CID167299880
Molecular FormulaC21H10F3NO3
Molecular Weight381.31 g/mol
Exact Mass381.06
IUPAC Name1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one
SMILESO=C(c1c(O)c2c3c(ccc2n(-c2ccccc2)c1=O)C=C=C=C3)C(F)(F)F
InChIInChI=1S/C21H10F3NO3/c22-21(23,24)19(27)17-18(26)16-14-9-5-4-6-12(14)10-11-15(16)25(20(17)28)13-7-2-1-3-8-13/h1-3,6-11,26H
InChIKeyGOIJGQRZVIFPRJ-UHFFFAOYSA-N
XLogP4.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one?
The IUPAC name of 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one (CID 167299880) is 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one.
What is the SMILES notation for 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one?
The canonical SMILES for 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one is O=C(c1c(O)c2c3c(ccc2n(-c2ccccc2)c1=O)C=C=C=C3)C(F)(F)F.
What is the InChIKey of 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one?
The InChIKey is GOIJGQRZVIFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F3NO3/c22-21(23,24)19(27)17-18(26)16-14-9-5-4-6-12(14)10-11-15(16)25(20(17)28)13-7-2-1-3-8-13/h1-3,6-11,26H.
What are the key properties of 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one?
1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one has a molecular weight of 381.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one is sourced from PubChem (CID 167299880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).