(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol

C12H13NO3 — CID 141137953

IUPAC(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
SMILESCOc1cnc2cccc([C@@H](O)CO)c2c1
InChIInChI=1S/C12H13NO3/c1-16-8-5-10-9(12(15)7-14)3-2-4-11(10)13-6-8/h2-6,12,14-15H,7H2,1H3/t12-/m0/s1
InChIKeyCLUOHJOKZOUQNK-LBPRGKRZSA-N
MW219.24 g/mol
LogP1.27
Rot. Bonds3

About (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol

(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol (PubChem CID 141137953) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
PubChem CID141137953
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
SMILESCOc1cnc2cccc([C@@H](O)CO)c2c1
InChIInChI=1S/C12H13NO3/c1-16-8-5-10-9(12(15)7-14)3-2-4-11(10)13-6-8/h2-6,12,14-15H,7H2,1H3/t12-/m0/s1
InChIKeyCLUOHJOKZOUQNK-LBPRGKRZSA-N
XLogP1.27
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyquinolin-5-yl)ethanol
CID 141175761
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol
CID 69377865
2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 69183300
5-bromo-3-methoxyquinoline
CID 58227851
1-(3-methoxyquinolin-5-yl)ethanone
CID 67065394
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 59626858
tert-butyl (3R,4R)-3-formyl-4-[(3S)-3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]piperidine-1-carboxylate
CID 87498695
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
(E)-3-(2,5-difluorophenyl)-N-[(2S,3R,6S)-6-[(2S)-2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]prop-2-enamide
CID 24783889
[(3R,4R)-4-[3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]-1-(2-phenylsulfanylethyl)piperidin-3-yl] hydrogen carbonate
CID 68567832
(2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol
CID 67995771
4-(hydroxymethyl)-6-methoxyquinolin-3-ol
CID 67246471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol?
The IUPAC name of (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol (CID 141137953) is (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol.
What is the SMILES notation for (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol?
The canonical SMILES for (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol is COc1cnc2cccc([C@@H](O)CO)c2c1.
What is the InChIKey of (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol?
The InChIKey is CLUOHJOKZOUQNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-8-5-10-9(12(15)7-14)3-2-4-11(10)13-6-8/h2-6,12,14-15H,7H2,1H3/t12-/m0/s1.
What are the key properties of (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol?
(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol has a molecular weight of 219.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol is sourced from PubChem (CID 141137953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).