[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C28H24F3N5O2 — CID 58396255

IUPAC[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCCc1ncnc(-c2cccnc2Oc2cc(C(=O)N3CCCc4ccc(C(F)(F)F)cc43)ccc2C)n1
InChIInChI=1S/C28H24F3N5O2/c1-3-24-33-16-34-25(35-24)21-7-4-12-32-26(21)38-23-14-19(9-8-17(23)2)27(37)36-13-5-6-18-10-11-20(15-22(18)36)28(29,30)31/h4,7-12,14-16H,3,5-6,13H2,1-2H3
InChIKeyYWFHBFUNMFQZFW-UHFFFAOYSA-N
MW519.53 g/mol
LogP6.21
Rot. Bonds5

About [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 58396255) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID58396255
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC Name[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCCc1ncnc(-c2cccnc2Oc2cc(C(=O)N3CCCc4ccc(C(F)(F)F)cc43)ccc2C)n1
InChIInChI=1S/C28H24F3N5O2/c1-3-24-33-16-34-25(35-24)21-7-4-12-32-26(21)38-23-14-19(9-8-17(23)2)27(37)36-13-5-6-18-10-11-20(15-22(18)36)28(29,30)31/h4,7-12,14-16H,3,5-6,13H2,1-2H3
InChIKeyYWFHBFUNMFQZFW-UHFFFAOYSA-N
XLogP6.21
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 67351882
3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 58396987
3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 58396240
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide
CID 58396624
5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]benzamide
CID 58397301
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorobenzamide
CID 58397263
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 58396881
1-(3-ethylphenyl)-3-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58396292
3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-methylbenzamide
CID 58397297
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 58396255) is [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is CCc1ncnc(-c2cccnc2Oc2cc(C(=O)N3CCCc4ccc(C(F)(F)F)cc43)ccc2C)n1.
What is the InChIKey of [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is YWFHBFUNMFQZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-3-24-33-16-34-25(35-24)21-7-4-12-32-26(21)38-23-14-19(9-8-17(23)2)27(37)36-13-5-6-18-10-11-20(15-22(18)36)28(29,30)31/h4,7-12,14-16H,3,5-6,13H2,1-2H3.
What are the key properties of [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 519.53 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylphenyl]-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 58396255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).