(2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol

C20H28N2O4 — CID 67995771

IUPAC(2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol
SMILESCOc1cnc2cccc(CC[C@@H]3CC[C@@H](N)[C@@H](C[C@@H](O)CO)O3)c2c1
InChIInChI=1S/C20H28N2O4/c1-25-16-10-17-13(3-2-4-19(17)22-11-16)5-6-15-7-8-18(21)20(26-15)9-14(24)12-23/h2-4,10-11,14-15,18,20,23-24H,5-9,12,21H2,1H3/t14-,15-,18-,20-/m1/s1
InChIKeyBMWWVWUYLYJPIE-YZDADXEPSA-N
MW360.45 g/mol
LogP1.79
Rot. Bonds7

About (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol

(2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol (PubChem CID 67995771) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol
PubChem CID67995771
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol
SMILESCOc1cnc2cccc(CC[C@@H]3CC[C@@H](N)[C@@H](C[C@@H](O)CO)O3)c2c1
InChIInChI=1S/C20H28N2O4/c1-25-16-10-17-13(3-2-4-19(17)22-11-16)5-6-15-7-8-18(21)20(26-15)9-14(24)12-23/h2-4,10-11,14-15,18,20,23-24H,5-9,12,21H2,1H3/t14-,15-,18-,20-/m1/s1
InChIKeyBMWWVWUYLYJPIE-YZDADXEPSA-N
XLogP1.79
TPSA97.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,5R,6S)-5-amino-6-(hydroxymethyl)oxan-2-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 69183300
(E)-3-(2,5-difluorophenyl)-N-[(2S,3R,6S)-2-[(2R)-2,3-dihydroxypropyl]-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-3-yl]prop-2-enamide
CID 67996121
(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
(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
(2S)-3-[(2R,3R,6R)-3-[3-(2,5-difluorophenyl)prop-2-enylamino]-6-[2-(6-fluoroquinolin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol
CID 67996907
3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
CID 69222743
(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
CID 87729430
5-bromo-3-methoxyquinoline
CID 58227851
tert-butyl N-[(2R,3R,6R)-2-(2-amino-2-oxoethyl)-6-[2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]-N-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]carbamate
CID 88546190
2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxyquinolin-4-yl)ethyl]oxan-2-yl]acetic acid;dihydrochloride
CID 69184699

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol (CID 67995771) is (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol is COc1cnc2cccc(CC[C@@H]3CC[C@@H](N)[C@@H](C[C@@H](O)CO)O3)c2c1.
What is the InChIKey of (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol?
The InChIKey is BMWWVWUYLYJPIE-YZDADXEPSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-16-10-17-13(3-2-4-19(17)22-11-16)5-6-15-7-8-18(21)20(26-15)9-14(24)12-23/h2-4,10-11,14-15,18,20,23-24H,5-9,12,21H2,1H3/t14-,15-,18-,20-/m1/s1.
What are the key properties of (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol?
(2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol has a molecular weight of 360.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R,3R,6R)-3-amino-6-[2-(3-methoxyquinolin-5-yl)ethyl]oxan-2-yl]propane-1,2-diol is sourced from PubChem (CID 67995771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).