2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol

C32H24F3N3O2 — CID 176606738

IUPAC2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol
SMILESOc1ccc(C(F)(F)F)c2ccc(Oc3ccc4c5ccccc5n(-c5cc(C6CCCC6)ccn5)c4c3)nc12
InChIInChI=1S/C32H24F3N3O2/c33-32(34,35)25-12-13-28(39)31-24(25)11-14-30(37-31)40-21-9-10-23-22-7-3-4-8-26(22)38(27(23)18-21)29-17-20(15-16-36-29)19-5-1-2-6-19/h3-4,7-19,39H,1-2,5-6H2
InChIKeyNLKKNUVGAPSJGN-UHFFFAOYSA-N
MW539.56 g/mol
LogP8.90
Rot. Bonds4

About 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol

2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol (PubChem CID 176606738) has the molecular formula C32H24F3N3O2 and a molecular weight of 539.56 g/mol. Its IUPAC name is 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol.

Molecular Properties

Compound Name2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol
PubChem CID176606738
Molecular FormulaC32H24F3N3O2
Molecular Weight539.56 g/mol
Exact Mass539.18
IUPAC Name2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol
SMILESOc1ccc(C(F)(F)F)c2ccc(Oc3ccc4c5ccccc5n(-c5cc(C6CCCC6)ccn5)c4c3)nc12
InChIInChI=1S/C32H24F3N3O2/c33-32(34,35)25-12-13-28(39)31-24(25)11-14-30(37-31)40-21-9-10-23-22-7-3-4-8-26(22)38(27(23)18-21)29-17-20(15-16-36-29)19-5-1-2-6-19/h3-4,7-19,39H,1-2,5-6H2
InChIKeyNLKKNUVGAPSJGN-UHFFFAOYSA-N
XLogP8.90
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.56
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol 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-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol?
The IUPAC name of 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol (CID 176606738) is 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol.
What is the SMILES notation for 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol?
The canonical SMILES for 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol is Oc1ccc(C(F)(F)F)c2ccc(Oc3ccc4c5ccccc5n(-c5cc(C6CCCC6)ccn5)c4c3)nc12.
What is the InChIKey of 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol?
The InChIKey is NLKKNUVGAPSJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N3O2/c33-32(34,35)25-12-13-28(39)31-24(25)11-14-30(37-31)40-21-9-10-23-22-7-3-4-8-26(22)38(27(23)18-21)29-17-20(15-16-36-29)19-5-1-2-6-19/h3-4,7-19,39H,1-2,5-6H2.
What are the key properties of 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol?
2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol has a molecular weight of 539.56 g/mol, XLogP of 8.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-cyclopentyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol is sourced from PubChem (CID 176606738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).