6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

C28H25FN4O2 — CID 44546004

IUPAC6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCOCCOc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F
InChIInChI=1S/C28H25FN4O2/c1-18-5-3-7-24(31-18)28-27(21-9-11-23-20(17-21)6-4-12-30-23)32-26(33-28)16-19-8-10-22(29)25(15-19)35-14-13-34-2/h3-12,15,17H,13-14,16H2,1-2H3,(H,32,33)
InChIKeyHJEGDRFCTDDUOI-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.75
Rot. Bonds8

About 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 44546004) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID44546004
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCOCCOc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F
InChIInChI=1S/C28H25FN4O2/c1-18-5-3-7-24(31-18)28-27(21-9-11-23-20(17-21)6-4-12-30-23)32-26(33-28)16-19-8-10-22(29)25(15-19)35-14-13-34-2/h3-12,15,17H,13-14,16H2,1-2H3,(H,32,33)
InChIKeyHJEGDRFCTDDUOI-UHFFFAOYSA-N
XLogP5.75
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 44546004) is 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is COCCOc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F.
What is the InChIKey of 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is HJEGDRFCTDDUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-18-5-3-7-24(31-18)28-27(21-9-11-23-20(17-21)6-4-12-30-23)32-26(33-28)16-19-8-10-22(29)25(15-19)35-14-13-34-2/h3-12,15,17H,13-14,16H2,1-2H3,(H,32,33).
What are the key properties of 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 468.53 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44546004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).