[(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol

C13H19NO2 — CID 125492584

IUPAC[(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol
SMILESCCN1C[C@H](CO)Cc2cccc(OC)c21
InChIInChI=1S/C13H19NO2/c1-3-14-8-10(9-15)7-11-5-4-6-12(16-2)13(11)14/h4-6,10,15H,3,7-9H2,1-2H3/t10-/m1/s1
InChIKeyNGEBRNYIXKTNKW-SNVBAGLBSA-N
MW221.30 g/mol
LogP1.69
Rot. Bonds3

About [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol

[(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol (PubChem CID 125492584) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol
PubChem CID125492584
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol
SMILESCCN1C[C@H](CO)Cc2cccc(OC)c21
InChIInChI=1S/C13H19NO2/c1-3-14-8-10(9-15)7-11-5-4-6-12(16-2)13(11)14/h4-6,10,15H,3,7-9H2,1-2H3/t10-/m1/s1
InChIKeyNGEBRNYIXKTNKW-SNVBAGLBSA-N
XLogP1.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol?
The IUPAC name of [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol (CID 125492584) is [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol?
The canonical SMILES for [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol is CCN1C[C@H](CO)Cc2cccc(OC)c21.
What is the InChIKey of [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol?
The InChIKey is NGEBRNYIXKTNKW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14-8-10(9-15)7-11-5-4-6-12(16-2)13(11)14/h4-6,10,15H,3,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol?
[(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethyl-8-methoxy-3,4-dihydro-2H-quinolin-3-yl]methanol is sourced from PubChem (CID 125492584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).