4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one

C23H20FNO — CID 46906830

IUPAC4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H20FNO/c1-23(2)13-20-22(21(26)14-23)18(15-8-10-17(24)11-9-15)12-19(25-20)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyUXNKBIWQXNUXLB-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.71
Rot. Bonds2

About 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one

4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one (PubChem CID 46906830) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one
PubChem CID46906830
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H20FNO/c1-23(2)13-20-22(21(26)14-23)18(15-8-10-17(24)11-9-15)12-19(25-20)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyUXNKBIWQXNUXLB-UHFFFAOYSA-N
XLogP5.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one (CID 46906830) is 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc2C1.
What is the InChIKey of 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one?
The InChIKey is UXNKBIWQXNUXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO/c1-23(2)13-20-22(21(26)14-23)18(15-8-10-17(24)11-9-15)12-19(25-20)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one?
4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one has a molecular weight of 345.42 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 46906830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).