1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one

C29H26F3N5O2 — CID 71053246

IUPAC1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2ncc(C)n2C)c2cccc(OCc3c(C)ccnc3Cn3ccc(C(F)(F)F)cc3=O)c2n1
InChIInChI=1S/C29H26F3N5O2/c1-17-8-10-33-24(15-37-11-9-20(13-26(37)38)29(30,31)32)23(17)16-39-25-7-5-6-21-22(12-18(2)35-27(21)25)28-34-14-19(3)36(28)4/h5-14H,15-16H2,1-4H3
InChIKeyGHQFOYJRDCQKPO-UHFFFAOYSA-N
MW533.55 g/mol
LogP5.76
Rot. Bonds6

About 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one

1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 71053246) has the molecular formula C29H26F3N5O2 and a molecular weight of 533.55 g/mol. Its IUPAC name is 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID71053246
Molecular FormulaC29H26F3N5O2
Molecular Weight533.55 g/mol
Exact Mass533.20
IUPAC Name1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2ncc(C)n2C)c2cccc(OCc3c(C)ccnc3Cn3ccc(C(F)(F)F)cc3=O)c2n1
InChIInChI=1S/C29H26F3N5O2/c1-17-8-10-33-24(15-37-11-9-20(13-26(37)38)29(30,31)32)23(17)16-39-25-7-5-6-21-22(12-18(2)35-27(21)25)28-34-14-19(3)36(28)4/h5-14H,15-16H2,1-4H3
InChIKeyGHQFOYJRDCQKPO-UHFFFAOYSA-N
XLogP5.76
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one with MolForge

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Related Compounds

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-[[4-methyl-3-[[2-methyl-4-(5-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 59483901
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
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-[[3-[[4-[(1E)-2-chloro-1-methylsulfanylbuta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 88952916
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-[[3-[[4-(5-chloro-1,3-thiazol-4-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-ethanimidoylpyridin-2-one
CID 145480891
1-[[3-[[4-[C-[(E)-1-chloroprop-1-enyl]-N-methylcarbonimidoyl]-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-5-fluoropyridin-2-one
CID 88952832
4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-ol
CID 135950311
[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate
CID 59484260
1-[[3-[[4-(5-cyano-1-methylpyrrol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methoxy-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 59483985
N-[(Z)-2-[N-methyl-C-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]carbonimidoyl]but-2-enyl]acetamide
CID 162585061

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one (CID 71053246) is 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one is Cc1cc(-c2ncc(C)n2C)c2cccc(OCc3c(C)ccnc3Cn3ccc(C(F)(F)F)cc3=O)c2n1.
What is the InChIKey of 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is GHQFOYJRDCQKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O2/c1-17-8-10-33-24(15-37-11-9-20(13-26(37)38)29(30,31)32)23(17)16-39-25-7-5-6-21-22(12-18(2)35-27(21)25)28-34-14-19(3)36(28)4/h5-14H,15-16H2,1-4H3.
What are the key properties of 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one?
1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 533.55 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 71053246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).