[5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate

C15H12FN3O2 — CID 155534291

IUPAC[5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1ccc(Cn2cnc(F)c2)c2cccnc12
InChIInChI=1S/C15H12FN3O2/c1-10(20)21-13-5-4-11(7-19-8-14(16)18-9-19)12-3-2-6-17-15(12)13/h2-6,8-9H,7H2,1H3
InChIKeyDRKSMDCXYZRRGL-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.54
Rot. Bonds3

About [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate

[5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate (PubChem CID 155534291) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate.

Molecular Properties

Compound Name[5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate
PubChem CID155534291
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name[5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1ccc(Cn2cnc(F)c2)c2cccnc12
InChIInChI=1S/C15H12FN3O2/c1-10(20)21-13-5-4-11(7-19-8-14(16)18-9-19)12-3-2-6-17-15(12)13/h2-6,8-9H,7H2,1H3
InChIKeyDRKSMDCXYZRRGL-UHFFFAOYSA-N
XLogP2.54
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate?
The IUPAC name of [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate (CID 155534291) is [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate.
What is the SMILES notation for [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate?
The canonical SMILES for [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate is CC(=O)Oc1ccc(Cn2cnc(F)c2)c2cccnc12.
What is the InChIKey of [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate?
The InChIKey is DRKSMDCXYZRRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-10(20)21-13-5-4-11(7-19-8-14(16)18-9-19)12-3-2-6-17-15(12)13/h2-6,8-9H,7H2,1H3.
What are the key properties of [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate?
[5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate has a molecular weight of 285.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluoroimidazol-1-yl)methyl]quinolin-8-yl] acetate is sourced from PubChem (CID 155534291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).