2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine

C25H19F3N2O — CID 121266825

IUPAC2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ccc3c(CCC(F)(F)F)cccc3n2)c2oc3nc(C)ccc3c2c1
InChIInChI=1S/C25H19F3N2O/c1-14-12-19-18-7-6-15(2)29-24(18)31-23(19)20(13-14)22-9-8-17-16(10-11-25(26,27)28)4-3-5-21(17)30-22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyMHIBXTGXEOTFPL-UHFFFAOYSA-N
MW420.43 g/mol
LogP7.31
Rot. Bonds3

About 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine

2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 121266825) has the molecular formula C25H19F3N2O and a molecular weight of 420.43 g/mol. Its IUPAC name is 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID121266825
Molecular FormulaC25H19F3N2O
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ccc3c(CCC(F)(F)F)cccc3n2)c2oc3nc(C)ccc3c2c1
InChIInChI=1S/C25H19F3N2O/c1-14-12-19-18-7-6-15(2)29-24(18)31-23(19)20(13-14)22-9-8-17-16(10-11-25(26,27)28)4-3-5-21(17)30-22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyMHIBXTGXEOTFPL-UHFFFAOYSA-N
XLogP7.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 121266825) is 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2ccc3c(CCC(F)(F)F)cccc3n2)c2oc3nc(C)ccc3c2c1.
What is the InChIKey of 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MHIBXTGXEOTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O/c1-14-12-19-18-7-6-15(2)29-24(18)31-23(19)20(13-14)22-9-8-17-16(10-11-25(26,27)28)4-3-5-21(17)30-22/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 420.43 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-[5-(3,3,3-trifluoropropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 121266825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).