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

C19H21F3N4O — CID 71212869

IUPAC(1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol
SMILESC[C@@H](O)c1nc2cnc3ccccc3c2n1[C@H]1CC[C@@H](NCC(F)(F)F)C1
InChIInChI=1S/C19H21F3N4O/c1-11(27)18-25-16-9-23-15-5-3-2-4-14(15)17(16)26(18)13-7-6-12(8-13)24-10-19(20,21)22/h2-5,9,11-13,24,27H,6-8,10H2,1H3/t11-,12-,13+/m1/s1
InChIKeyMEKWXJYTCMECRP-UPJWGTAASA-N
MW378.40 g/mol
LogP3.88
Rot. Bonds4

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

(1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol (PubChem CID 71212869) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol
PubChem CID71212869
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name(1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol
SMILESC[C@@H](O)c1nc2cnc3ccccc3c2n1[C@H]1CC[C@@H](NCC(F)(F)F)C1
InChIInChI=1S/C19H21F3N4O/c1-11(27)18-25-16-9-23-15-5-3-2-4-14(15)17(16)26(18)13-7-6-12(8-13)24-10-19(20,21)22/h2-5,9,11-13,24,27H,6-8,10H2,1H3/t11-,12-,13+/m1/s1
InChIKeyMEKWXJYTCMECRP-UPJWGTAASA-N
XLogP3.88
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol 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 (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The IUPAC name of (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol (CID 71212869) is (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol is C[C@@H](O)c1nc2cnc3ccccc3c2n1[C@H]1CC[C@@H](NCC(F)(F)F)C1.
What is the InChIKey of (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The InChIKey is MEKWXJYTCMECRP-UPJWGTAASA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-11(27)18-25-16-9-23-15-5-3-2-4-14(15)17(16)26(18)13-7-6-12(8-13)24-10-19(20,21)22/h2-5,9,11-13,24,27H,6-8,10H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
(1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol has a molecular weight of 378.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(1S,3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol is sourced from PubChem (CID 71212869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).