8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

C23H14F3N3O — CID 127047610

IUPAC8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(-c4ccccc4)cc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H14F3N3O/c24-23(25,26)16-7-4-8-17(12-16)29-21-18-11-15(14-5-2-1-3-6-14)9-10-19(18)27-13-20(21)28-22(29)30/h1-13H,(H,28,30)
InChIKeyJODLAQDKCGLISF-UHFFFAOYSA-N
MW405.38 g/mol
LogP5.55
Rot. Bonds2

About 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 127047610) has the molecular formula C23H14F3N3O and a molecular weight of 405.38 g/mol. Its IUPAC name is 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID127047610
Molecular FormulaC23H14F3N3O
Molecular Weight405.38 g/mol
Exact Mass405.11
IUPAC Name8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(-c4ccccc4)cc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H14F3N3O/c24-23(25,26)16-7-4-8-17(12-16)29-21-18-11-15(14-5-2-1-3-6-14)9-10-19(18)27-13-20(21)28-22(29)30/h1-13H,(H,28,30)
InChIKeyJODLAQDKCGLISF-UHFFFAOYSA-N
XLogP5.55
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 134438330
9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 51358113
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 127048030
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
CID 127045644
9-(2-oxo-1,3-dihydroinden-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 164965689
9-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438427
1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 13282380
2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 135267110
benzyl N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]carbamate
CID 155249538
1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one
CID 69251341
N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide
CID 71554638
8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 71553672

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 127047610) is 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccc(-c4ccccc4)cc3c2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is JODLAQDKCGLISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O/c24-23(25,26)16-7-4-8-17(12-16)29-21-18-11-15(14-5-2-1-3-6-14)9-10-19(18)27-13-20(21)28-22(29)30/h1-13H,(H,28,30).
What are the key properties of 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 405.38 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 127047610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).