methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate

C28H23FN4O3 — CID 44546005

IUPACmethyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F
InChIInChI=1S/C28H23FN4O3/c1-17-5-3-7-23(31-17)28-27(20-9-11-22-19(15-20)6-4-12-30-22)32-25(33-28)14-18-8-10-21(29)24(13-18)36-16-26(34)35-2/h3-13,15H,14,16H2,1-2H3,(H,32,33)
InChIKeyFJPQGUFPOGUGBI-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.28
Rot. Bonds7

About methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate

methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate (PubChem CID 44546005) has the molecular formula C28H23FN4O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate
PubChem CID44546005
Molecular FormulaC28H23FN4O3
Molecular Weight482.52 g/mol
Exact Mass482.18
IUPAC Namemethyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F
InChIInChI=1S/C28H23FN4O3/c1-17-5-3-7-23(31-17)28-27(20-9-11-22-19(15-20)6-4-12-30-22)32-25(33-28)14-18-8-10-21(29)24(13-18)36-16-26(34)35-2/h3-13,15H,14,16H2,1-2H3,(H,32,33)
InChIKeyFJPQGUFPOGUGBI-UHFFFAOYSA-N
XLogP5.28
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate (CID 44546005) is methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate is COC(=O)COc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F.
What is the InChIKey of methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate?
The InChIKey is FJPQGUFPOGUGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3/c1-17-5-3-7-23(31-17)28-27(20-9-11-22-19(15-20)6-4-12-30-22)32-25(33-28)14-18-8-10-21(29)24(13-18)36-16-26(34)35-2/h3-13,15H,14,16H2,1-2H3,(H,32,33).
What are the key properties of methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate?
methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate has a molecular weight of 482.52 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]acetate is sourced from PubChem (CID 44546005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).