4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol

C17H15ClF3N3O — CID 59333336

IUPAC4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)CC1
InChIInChI=1S/C17H15ClF3N3O/c18-16-14-15(24(8-22-14)10-2-4-11(25)5-3-10)12-6-1-9(17(19,20)21)7-13(12)23-16/h1,6-8,10-11,25H,2-5H2
InChIKeyGBXDNOLNWNVEKV-UHFFFAOYSA-N
MW369.77 g/mol
LogP4.73
Rot. Bonds1

About 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol

4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol (PubChem CID 59333336) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
PubChem CID59333336
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC Name4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)CC1
InChIInChI=1S/C17H15ClF3N3O/c18-16-14-15(24(8-22-14)10-2-4-11(25)5-3-10)12-6-1-9(17(19,20)21)7-13(12)23-16/h1,6-8,10-11,25H,2-5H2
InChIKeyGBXDNOLNWNVEKV-UHFFFAOYSA-N
XLogP4.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-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 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol (CID 59333336) is 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol is OC1CCC(n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)CC1.
What is the InChIKey of 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol?
The InChIKey is GBXDNOLNWNVEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O/c18-16-14-15(24(8-22-14)10-2-4-11(25)5-3-10)12-6-1-9(17(19,20)21)7-13(12)23-16/h1,6-8,10-11,25H,2-5H2.
What are the key properties of 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol?
4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol has a molecular weight of 369.77 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 59333336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).