8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C22H17F4N3O2 — CID 155023516

IUPAC8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(Cn4cc(C(F)(F)F)cc(F)c4=O)c3)c21
InChIInChI=1S/C22H17F4N3O2/c1-28-19(30)6-5-14-3-2-4-17(20(14)28)15-7-13(9-27-10-15)11-29-12-16(22(24,25)26)8-18(23)21(29)31/h2-4,7-10,12H,5-6,11H2,1H3
InChIKeyZCUITXPNZWGFON-UHFFFAOYSA-N
MW431.39 g/mol
LogP4.03
Rot. Bonds3

About 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 155023516) has the molecular formula C22H17F4N3O2 and a molecular weight of 431.39 g/mol. Its IUPAC name is 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID155023516
Molecular FormulaC22H17F4N3O2
Molecular Weight431.39 g/mol
Exact Mass431.13
IUPAC Name8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cccc(-c3cncc(Cn4cc(C(F)(F)F)cc(F)c4=O)c3)c21
InChIInChI=1S/C22H17F4N3O2/c1-28-19(30)6-5-14-3-2-4-17(20(14)28)15-7-13(9-27-10-15)11-29-12-16(22(24,25)26)8-18(23)21(29)31/h2-4,7-10,12H,5-6,11H2,1H3
InChIKeyZCUITXPNZWGFON-UHFFFAOYSA-N
XLogP4.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 155023513
8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146216604
1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462720
6-[5-[(2-fluoro-6-oxo-1-pyridinyl)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86297487
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103
1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297285
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462714
1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078397
6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440497
6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440799
7-fluoro-1-methyl-6-[5-[2-(methylamino)ethoxy]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 89439966

Frequently Asked Questions

What is the IUPAC name of 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 155023516) is 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cccc(-c3cncc(Cn4cc(C(F)(F)F)cc(F)c4=O)c3)c21.
What is the InChIKey of 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZCUITXPNZWGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O2/c1-28-19(30)6-5-14-3-2-4-17(20(14)28)15-7-13(9-27-10-15)11-29-12-16(22(24,25)26)8-18(23)21(29)31/h2-4,7-10,12H,5-6,11H2,1H3.
What are the key properties of 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 431.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155023516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).