[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol

C18H19F3N4O — CID 78042337

IUPAC[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol
SMILESOCc1nc2cnc3ccccc3c2n1C1CCC(NCC(F)(F)F)C1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)10-23-11-5-6-12(7-11)25-16(9-26)24-15-8-22-14-4-2-1-3-13(14)17(15)25/h1-4,8,11-12,23,26H,5-7,9-10H2
InChIKeyUFIBNFNKFAJDMU-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.32
Rot. Bonds4

About [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol

[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol (PubChem CID 78042337) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol
PubChem CID78042337
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol
SMILESOCc1nc2cnc3ccccc3c2n1C1CCC(NCC(F)(F)F)C1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)10-23-11-5-6-12(7-11)25-16(9-26)24-15-8-22-14-4-2-1-3-13(14)17(15)25/h1-4,8,11-12,23,26H,5-7,9-10H2
InChIKeyUFIBNFNKFAJDMU-UHFFFAOYSA-N
XLogP3.32
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol?
The IUPAC name of [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol (CID 78042337) is [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol is OCc1nc2cnc3ccccc3c2n1C1CCC(NCC(F)(F)F)C1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol?
The InChIKey is UFIBNFNKFAJDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)10-23-11-5-6-12(7-11)25-16(9-26)24-15-8-22-14-4-2-1-3-13(14)17(15)25/h1-4,8,11-12,23,26H,5-7,9-10H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol?
[1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol has a molecular weight of 364.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]methanol is sourced from PubChem (CID 78042337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).