2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol

C18H24N2O4 — CID 69183300

IUPAC2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol
SMILESCOc1cnc2cccc(C(O)C[C@@H]3CC[C@@H](N)[C@@H](CO)O3)c2c1
InChIInChI=1S/C18H24N2O4/c1-23-12-7-14-13(3-2-4-16(14)20-9-12)17(22)8-11-5-6-15(19)18(10-21)24-11/h2-4,7,9,11,15,17-18,21-22H,5-6,8,10,19H2,1H3/t11-,15+,17?,18+/m0/s1
InChIKeyJDXHRMPWPPZIMY-LWGKQQQYSA-N
MW332.40 g/mol
LogP1.53
Rot. Bonds5

About 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol

2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol (PubChem CID 69183300) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol.

Molecular Properties

Compound Name2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol
PubChem CID69183300
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol
SMILESCOc1cnc2cccc(C(O)C[C@@H]3CC[C@@H](N)[C@@H](CO)O3)c2c1
InChIInChI=1S/C18H24N2O4/c1-23-12-7-14-13(3-2-4-16(14)20-9-12)17(22)8-11-5-6-15(19)18(10-21)24-11/h2-4,7,9,11,15,17-18,21-22H,5-6,8,10,19H2,1H3/t11-,15+,17?,18+/m0/s1
InChIKeyJDXHRMPWPPZIMY-LWGKQQQYSA-N
XLogP1.53
TPSA97.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol with MolForge

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Related Compounds

(2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol
CID 67995771
(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
(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
CID 141137953
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methoxyquinolin-5-yl)ethanol
CID 69377865
1-(3-methoxyquinolin-5-yl)ethanol
CID 141175761
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
(1S)-2-[(2S,5R,6S)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-(hydroxymethyl)oxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 24783377
N-[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 59626901
methyl (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]piperidine-3-carboxylate
CID 69408518
1-(3-methoxyquinolin-5-yl)-2-[6-[[(E)-3-pyridin-2-ylprop-2-enyl]amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethanol
CID 143189430
[(3R,4R)-4-[3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]-1-(2-phenylsulfanylethyl)piperidin-3-yl] hydrogen carbonate
CID 68567832

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol?
The IUPAC name of 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol (CID 69183300) is 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol.
What is the SMILES notation for 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol?
The canonical SMILES for 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol is COc1cnc2cccc(C(O)C[C@@H]3CC[C@@H](N)[C@@H](CO)O3)c2c1.
What is the InChIKey of 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol?
The InChIKey is JDXHRMPWPPZIMY-LWGKQQQYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-12-7-14-13(3-2-4-16(14)20-9-12)17(22)8-11-5-6-15(19)18(10-21)24-11/h2-4,7,9,11,15,17-18,21-22H,5-6,8,10,19H2,1H3/t11-,15+,17?,18+/m0/s1.
What are the key properties of 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol?
2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol has a molecular weight of 332.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol is sourced from PubChem (CID 69183300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).