3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one

C24H18F3NO2 — CID 142438224

IUPAC3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
SMILESCOc1c(-c2ccccc2)c2ccccc2n(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H18F3NO2/c1-30-22-21(17-9-3-2-4-10-17)19-12-5-6-13-20(19)28(23(22)29)15-16-8-7-11-18(14-16)24(25,26)27/h2-14H,15H2,1H3
InChIKeyBAKBQAAQGRFHAE-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.74
Rot. Bonds4

About 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one

3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one (PubChem CID 142438224) has the molecular formula C24H18F3NO2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one.

Molecular Properties

Compound Name3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
PubChem CID142438224
Molecular FormulaC24H18F3NO2
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
SMILESCOc1c(-c2ccccc2)c2ccccc2n(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H18F3NO2/c1-30-22-21(17-9-3-2-4-10-17)19-12-5-6-13-20(19)28(23(22)29)15-16-8-7-11-18(14-16)24(25,26)27/h2-14H,15H2,1H3
InChIKeyBAKBQAAQGRFHAE-UHFFFAOYSA-N
XLogP5.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438185
1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
CID 142438232
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
3-bromo-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 59066261
2-[2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
CID 68956846
1-benzyl-3-bromo-2-[3-(trifluoromethyl)phenyl]indole
CID 162539598
2-(4-methoxyphenyl)-10-[[3-(trifluoromethyl)phenyl]methyl]pyrimido[1,2-a]benzimidazol-4-one
CID 45031544

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one?
The IUPAC name of 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one (CID 142438224) is 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one.
What is the SMILES notation for 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one?
The canonical SMILES for 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one is COc1c(-c2ccccc2)c2ccccc2n(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one?
The InChIKey is BAKBQAAQGRFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO2/c1-30-22-21(17-9-3-2-4-10-17)19-12-5-6-13-20(19)28(23(22)29)15-16-8-7-11-18(14-16)24(25,26)27/h2-14H,15H2,1H3.
What are the key properties of 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one?
3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one has a molecular weight of 409.41 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one is sourced from PubChem (CID 142438224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).