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

C28H23F4N5O2 — CID 59483894

IUPAC1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2ncc(F)n2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C28H23F4N5O2/c1-16-9-10-33-22(14-37-11-5-7-21(27(37)38)28(30,31)32)20(16)15-39-23-8-4-6-18-19(12-17(2)35-25(18)23)26-34-13-24(29)36(26)3/h4-13H,14-15H2,1-3H3
InChIKeyWANLUEKQFNJAOY-UHFFFAOYSA-N
MW537.52 g/mol
LogP5.59
Rot. Bonds6

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

1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 59483894) has the molecular formula C28H23F4N5O2 and a molecular weight of 537.52 g/mol. Its IUPAC name is 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID59483894
Molecular FormulaC28H23F4N5O2
Molecular Weight537.52 g/mol
Exact Mass537.18
IUPAC Name1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2ncc(F)n2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C28H23F4N5O2/c1-16-9-10-33-22(14-37-11-5-7-21(27(37)38)28(30,31)32)20(16)15-39-23-8-4-6-18-19(12-17(2)35-25(18)23)26-34-13-24(29)36(26)3/h4-13H,14-15H2,1-3H3
InChIKeyWANLUEKQFNJAOY-UHFFFAOYSA-N
XLogP5.59
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.52
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one (CID 59483894) is 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one is Cc1cc(-c2ncc(F)n2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1.
What is the InChIKey of 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is WANLUEKQFNJAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F4N5O2/c1-16-9-10-33-22(14-37-11-5-7-21(27(37)38)28(30,31)32)20(16)15-39-23-8-4-6-18-19(12-17(2)35-25(18)23)26-34-13-24(29)36(26)3/h4-13H,14-15H2,1-3H3.
What are the key properties of 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 537.52 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[4-(5-fluoro-1-methylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 59483894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).