6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one

C15H11F3N2O — CID 12001469

IUPAC6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3ccc(C(F)(F)F)nc3)ccc2N1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)13-5-2-11(8-19-13)9-1-4-12-10(7-9)3-6-14(21)20-12/h1-2,4-5,7-8H,3,6H2,(H,20,21)
InChIKeyLNNURERXCOZVEV-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.65
Rot. Bonds1

About 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one

6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12001469) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID12001469
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3ccc(C(F)(F)F)nc3)ccc2N1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)13-5-2-11(8-19-13)9-1-4-12-10(7-9)3-6-14(21)20-12/h1-2,4-5,7-8H,3,6H2,(H,20,21)
InChIKeyLNNURERXCOZVEV-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
6-(6-fluoroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550234
6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 69108230
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
7-[4-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 12001289
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116877449
6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one
CID 59860167
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256

Frequently Asked Questions

What is the IUPAC name of 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one (CID 12001469) is 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3ccc(C(F)(F)F)nc3)ccc2N1.
What is the InChIKey of 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LNNURERXCOZVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)13-5-2-11(8-19-13)9-1-4-12-10(7-9)3-6-14(21)20-12/h1-2,4-5,7-8H,3,6H2,(H,20,21).
What are the key properties of 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one?
6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 292.26 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12001469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).