4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one

C24H18F3NO3 — CID 54696598

IUPAC4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one
SMILESCn1c(=O)c(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(O)c2ccccc21
InChIInChI=1S/C24H18F3NO3/c1-28-21-5-3-2-4-19(21)22(29)20(23(28)30)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)31-24(25,26)27/h2-13,29H,14H2,1H3
InChIKeyZCPYHXXGEVBYIX-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.40
Rot. Bonds4

About 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one

4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one (PubChem CID 54696598) has the molecular formula C24H18F3NO3 and a molecular weight of 425.41 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one
PubChem CID54696598
Molecular FormulaC24H18F3NO3
Molecular Weight425.41 g/mol
Exact Mass425.12
IUPAC Name4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one
SMILESCn1c(=O)c(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(O)c2ccccc21
InChIInChI=1S/C24H18F3NO3/c1-28-21-5-3-2-4-19(21)22(29)20(23(28)30)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)31-24(25,26)27/h2-13,29H,14H2,1H3
InChIKeyZCPYHXXGEVBYIX-UHFFFAOYSA-N
XLogP5.40
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one
CID 54707812
5-methyl-2-(trifluoromethoxy)phenanthridin-6-one
CID 138967804
[1-methyl-2-oxo-3-[(4-phenylphenyl)methyl]quinolin-4-yl] methanesulfonate
CID 10237970
3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one
CID 54690735
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one (CID 54696598) is 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one is Cn1c(=O)c(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one?
The InChIKey is ZCPYHXXGEVBYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO3/c1-28-21-5-3-2-4-19(21)22(29)20(23(28)30)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)31-24(25,26)27/h2-13,29H,14H2,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one?
4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one has a molecular weight of 425.41 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one is sourced from PubChem (CID 54696598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).