3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one

C23H20FNO2 — CID 90677362

IUPAC3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccc(F)cc2C(O)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H20FNO2/c24-18-11-12-20-19(13-18)21(26)23(22(27)25-20,14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21,26H,14-15H2,(H,25,27)
InChIKeyGFIREDFCTVLONQ-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.28
Rot. Bonds4

About 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one

3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one (PubChem CID 90677362) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one
PubChem CID90677362
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccc(F)cc2C(O)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H20FNO2/c24-18-11-12-20-19(13-18)21(26)23(22(27)25-20,14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21,26H,14-15H2,(H,25,27)
InChIKeyGFIREDFCTVLONQ-UHFFFAOYSA-N
XLogP4.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one?
The IUPAC name of 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one (CID 90677362) is 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one?
The canonical SMILES for 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one is O=C1Nc2ccc(F)cc2C(O)C1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one?
The InChIKey is GFIREDFCTVLONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c24-18-11-12-20-19(13-18)21(26)23(22(27)25-20,14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13,21,26H,14-15H2,(H,25,27).
What are the key properties of 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one?
3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one has a molecular weight of 361.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 90677362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).