6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline

C19H19F3N2O2 — CID 141282003

IUPAC6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline
SMILESCOc1ccc2c(c1)C=CCN2[C@H](C)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H19F3N2O2/c1-13(17-7-5-16(11-23-17)26-12-19(20,21)22)24-9-3-4-14-10-15(25-2)6-8-18(14)24/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m1/s1
InChIKeyDREUMEVVLNGCQF-CYBMUJFWSA-N
MW364.37 g/mol
LogP4.63
Rot. Bonds5

About 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline

6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline (PubChem CID 141282003) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline.

Molecular Properties

Compound Name6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline
PubChem CID141282003
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline
SMILESCOc1ccc2c(c1)C=CCN2[C@H](C)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H19F3N2O2/c1-13(17-7-5-16(11-23-17)26-12-19(20,21)22)24-9-3-4-14-10-15(25-2)6-8-18(14)24/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m1/s1
InChIKeyDREUMEVVLNGCQF-CYBMUJFWSA-N
XLogP4.63
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline 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 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline?
The IUPAC name of 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline (CID 141282003) is 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline.
What is the SMILES notation for 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline?
The canonical SMILES for 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline is COc1ccc2c(c1)C=CCN2[C@H](C)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline?
The InChIKey is DREUMEVVLNGCQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13(17-7-5-16(11-23-17)26-12-19(20,21)22)24-9-3-4-14-10-15(25-2)6-8-18(14)24/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline?
6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline has a molecular weight of 364.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoline is sourced from PubChem (CID 141282003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).