2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine

C28H25F3N2O — CID 130343222

IUPAC2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc4c(CC(C)(C)C(F)(F)F)cccc4n3)c(C)c(C)cc12
InChIInChI=1S/C28H25F3N2O/c1-15-13-21-20-10-9-16(2)32-26(20)34-25(21)24(17(15)3)23-12-11-19-18(7-6-8-22(19)33-23)14-27(4,5)28(29,30)31/h6-13H,14H2,1-5H3
InChIKeyAVWPVINVGJBNDZ-UHFFFAOYSA-N
MW462.52 g/mol
LogP8.25
Rot. Bonds3

About 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine

2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 130343222) has the molecular formula C28H25F3N2O and a molecular weight of 462.52 g/mol. Its IUPAC name is 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID130343222
Molecular FormulaC28H25F3N2O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC Name2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc4c(CC(C)(C)C(F)(F)F)cccc4n3)c(C)c(C)cc12
InChIInChI=1S/C28H25F3N2O/c1-15-13-21-20-10-9-16(2)32-26(20)34-25(21)24(17(15)3)23-12-11-19-18(7-6-8-22(19)33-23)14-27(4,5)28(29,30)31/h6-13H,14H2,1-5H3
InChIKeyAVWPVINVGJBNDZ-UHFFFAOYSA-N
XLogP8.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)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 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 130343222) is 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc4c(CC(C)(C)C(F)(F)F)cccc4n3)c(C)c(C)cc12.
What is the InChIKey of 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is AVWPVINVGJBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O/c1-15-13-21-20-10-9-16(2)32-26(20)34-25(21)24(17(15)3)23-12-11-19-18(7-6-8-22(19)33-23)14-27(4,5)28(29,30)31/h6-13H,14H2,1-5H3.
What are the key properties of 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 462.52 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-8-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 130343222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).