2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one

C17H12F3NO2 — CID 44530832

IUPAC2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1
InChIInChI=1S/C17H12F3NO2/c1-10-8-16(22)14-9-12(4-7-15(14)21-10)11-2-5-13(6-3-11)23-17(18,19)20/h2-9H,1H3,(H,21,22)
InChIKeyHKPSVNQETIBOAX-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.40
Rot. Bonds2

About 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one

2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one (PubChem CID 44530832) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
PubChem CID44530832
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1
InChIInChI=1S/C17H12F3NO2/c1-10-8-16(22)14-9-12(4-7-15(14)21-10)11-2-5-13(6-3-11)23-17(18,19)20/h2-9H,1H3,(H,21,22)
InChIKeyHKPSVNQETIBOAX-UHFFFAOYSA-N
XLogP4.40
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxy-2-phenyl-4-quinolone
CID 124348
6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one
CID 2775106
2-Methoxy-9(10H)-acridone
CID 407032
6-Methyl-2-{[(3-phenoxypropyl)amino]methyl}quinolin-4-OL
CID 72901200
3-(4-Fluoroanilino)-1-(4-methoxyphenyl)-1-propanone
CID 930491
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
6-Methoxy-2-methylquinolin-4-ol
CID 316987
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 56965231
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one
CID 56965336
1-Hydroxy-3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]quinolin-4-one
CID 67616724
5-Fluoro-3-Methyl-2-{4-[4-(Trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-One
CID 124222414
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one?
The IUPAC name of 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one (CID 44530832) is 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one is Cc1cc(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1.
What is the InChIKey of 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one?
The InChIKey is HKPSVNQETIBOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-10-8-16(22)14-9-12(4-7-15(14)21-10)11-2-5-13(6-3-11)23-17(18,19)20/h2-9H,1H3,(H,21,22).
What are the key properties of 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one?
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one has a molecular weight of 319.28 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 44530832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).