2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline

C17H16F3N3O3 — CID 118031641

IUPAC2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline
SMILESCOc1nc2ccc(-c3cncn3C)cc2c(OC)c1OCC(F)(F)F
InChIInChI=1S/C17H16F3N3O3/c1-23-9-21-7-13(23)10-4-5-12-11(6-10)14(24-2)15(16(22-12)25-3)26-8-17(18,19)20/h4-7,9H,8H2,1-3H3
InChIKeyUKLVEVFRJXBVOP-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.59
Rot. Bonds5

About 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline

2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline (PubChem CID 118031641) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline.

Molecular Properties

Compound Name2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline
PubChem CID118031641
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline
SMILESCOc1nc2ccc(-c3cncn3C)cc2c(OC)c1OCC(F)(F)F
InChIInChI=1S/C17H16F3N3O3/c1-23-9-21-7-13(23)10-4-5-12-11(6-10)14(24-2)15(16(22-12)25-3)26-8-17(18,19)20/h4-7,9H,8H2,1-3H3
InChIKeyUKLVEVFRJXBVOP-UHFFFAOYSA-N
XLogP3.59
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline?
The IUPAC name of 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline (CID 118031641) is 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline.
What is the SMILES notation for 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline?
The canonical SMILES for 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline is COc1nc2ccc(-c3cncn3C)cc2c(OC)c1OCC(F)(F)F.
What is the InChIKey of 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline?
The InChIKey is UKLVEVFRJXBVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-23-9-21-7-13(23)10-4-5-12-11(6-10)14(24-2)15(16(22-12)25-3)26-8-17(18,19)20/h4-7,9H,8H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline?
2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline has a molecular weight of 367.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(3-methylimidazol-4-yl)-3-(2,2,2-trifluoroethoxy)quinoline is sourced from PubChem (CID 118031641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).