7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

C17H16FNO3 — CID 142438066

IUPAC7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCOC1C(=O)Nc2cc(CF)ccc2C1(O)c1ccccc1
InChIInChI=1S/C17H16FNO3/c1-22-15-16(20)19-14-9-11(10-18)7-8-13(14)17(15,21)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3,(H,19,20)
InChIKeyHIOJTVFWAXDELR-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.36
Rot. Bonds3

About 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 142438066) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID142438066
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCOC1C(=O)Nc2cc(CF)ccc2C1(O)c1ccccc1
InChIInChI=1S/C17H16FNO3/c1-22-15-16(20)19-14-9-11(10-18)7-8-13(14)17(15,21)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3,(H,19,20)
InChIKeyHIOJTVFWAXDELR-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 142438066) is 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is COC1C(=O)Nc2cc(CF)ccc2C1(O)c1ccccc1.
What is the InChIKey of 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is HIOJTVFWAXDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-22-15-16(20)19-14-9-11(10-18)7-8-13(14)17(15,21)12-5-3-2-4-6-12/h2-9,15,21H,10H2,1H3,(H,19,20).
What are the key properties of 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 301.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 142438066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).