4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one

C28H24F3N5O3 — CID 59484376

IUPAC4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one
SMILESCc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)cc(=O)[nH]c3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C28H24F3N5O3/c1-15-10-24(37)34-22(13-36-9-5-7-21(27(36)38)28(29,30)31)20(15)14-39-23-8-4-6-18-19(11-17(3)33-26(18)23)25-16(2)12-32-35-25/h4-12H,13-14H2,1-3H3,(H,32,35)(H,34,37)
InChIKeyGAAMSQRLLAZCQX-UHFFFAOYSA-N
MW535.53 g/mol
LogP5.05
Rot. Bonds6

About 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one

4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one (PubChem CID 59484376) has the molecular formula C28H24F3N5O3 and a molecular weight of 535.53 g/mol. Its IUPAC name is 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one
PubChem CID59484376
Molecular FormulaC28H24F3N5O3
Molecular Weight535.53 g/mol
Exact Mass535.18
IUPAC Name4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one
SMILESCc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)cc(=O)[nH]c3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C28H24F3N5O3/c1-15-10-24(37)34-22(13-36-9-5-7-21(27(36)38)28(29,30)31)20(15)14-39-23-8-4-6-18-19(11-17(3)33-26(18)23)25-16(2)12-32-35-25/h4-12H,13-14H2,1-3H3,(H,32,35)(H,34,37)
InChIKeyGAAMSQRLLAZCQX-UHFFFAOYSA-N
XLogP5.05
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.53
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]benzamide
CID 59484122
1-[[4-methyl-3-[[2-methyl-4-(1,3-thiazol-2-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 59484164
1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile
CID 59483959
3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one
CID 59484125
1-[[4-methyl-3-[[2-methyl-4-(5-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 59483901
1-[[3-[[4-(4-cyano-1H-pyrazol-5-yl)-2-methylquinolin-8-yl]oxymethyl]-4-iodo-6-methyl-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 70850271
1-[[3-[[4-(2-chloro-1,3-thiazol-4-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methoxy-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 67078057
1-[[4-chloro-6-methyl-3-[[2-methyl-4-(2-methylhydrazinyl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 70905376
1-[[4-chloro-1-hydroxy-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-1-ium-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one;ethane
CID 145481019
5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-1-methylpyrrole-2-carbonitrile
CID 45111417
1-[[4-chloro-3-[[4-[4-(hydroxymethyl)-1H-pyrazol-5-yl]-2-methylquinolin-8-yl]oxymethyl]-6-methyl-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 25018172
1-[[4-[[4-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-2-methylquinolin-8-yl]oxymethyl]-5-fluoro-2-methyl-3-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 91495641

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one (CID 59484376) is 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one is Cc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)cc(=O)[nH]c3Cn3cccc(C(F)(F)F)c3=O)c2n1.
What is the InChIKey of 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one?
The InChIKey is GAAMSQRLLAZCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O3/c1-15-10-24(37)34-22(13-36-9-5-7-21(27(36)38)28(29,30)31)20(15)14-39-23-8-4-6-18-19(11-17(3)33-26(18)23)25-16(2)12-32-35-25/h4-12H,13-14H2,1-3H3,(H,32,35)(H,34,37).
What are the key properties of 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one?
4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one has a molecular weight of 535.53 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 59484376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).