(E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol

C16H19NO4 — CID 66737451

IUPAC(E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol
SMILESCOc1ccc2nccc(OC/C=C/C[C@@H](O)CO)c2c1
InChIInChI=1S/C16H19NO4/c1-20-13-5-6-15-14(10-13)16(7-8-17-15)21-9-3-2-4-12(19)11-18/h2-3,5-8,10,12,18-19H,4,9,11H2,1H3/b3-2+/t12-/m1/s1
InChIKeyGZYCULFUBJJBFZ-QAVQXKDTSA-N
MW289.33 g/mol
LogP1.92
Rot. Bonds7

About (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol

(E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol (PubChem CID 66737451) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol.

Molecular Properties

Compound Name(E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol
PubChem CID66737451
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol
SMILESCOc1ccc2nccc(OC/C=C/C[C@@H](O)CO)c2c1
InChIInChI=1S/C16H19NO4/c1-20-13-5-6-15-14(10-13)16(7-8-17-15)21-9-3-2-4-12(19)11-18/h2-3,5-8,10,12,18-19H,4,9,11H2,1H3/b3-2+/t12-/m1/s1
InChIKeyGZYCULFUBJJBFZ-QAVQXKDTSA-N
XLogP1.92
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol with MolForge

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Related Compounds

6-methoxy-4-prop-2-enoxyquinoline
CID 86730706
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
CID 10827290
4-benzylperoxy-6-methoxyquinoline
CID 141085895
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one
CID 66737251
(E)-3-(2,5-difluorophenyl)-N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[(6-methoxyquinolin-4-yl)oxymethyl]oxan-3-yl]prop-2-enamide
CID 67995610
4,7-dimethoxyquinoline
CID 20743716
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787
(4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene
CID 91424367
4-tert-butyl-6-methoxyquinoline
CID 58989607
6-methoxyquinoline-4-sulfonic acid
CID 119093175

Frequently Asked Questions

What is the IUPAC name of (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol?
The IUPAC name of (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol (CID 66737451) is (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol.
What is the SMILES notation for (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol?
The canonical SMILES for (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol is COc1ccc2nccc(OC/C=C/C[C@@H](O)CO)c2c1.
What is the InChIKey of (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol?
The InChIKey is GZYCULFUBJJBFZ-QAVQXKDTSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-13-5-6-15-14(10-13)16(7-8-17-15)21-9-3-2-4-12(19)11-18/h2-3,5-8,10,12,18-19H,4,9,11H2,1H3/b3-2+/t12-/m1/s1.
What are the key properties of (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol?
(E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol has a molecular weight of 289.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol is sourced from PubChem (CID 66737451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).