2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid

C16H20NO6P — CID 167491390

IUPAC2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid
SMILESOC1CC(CCP(O)O)OC(Oc2ccc3ncccc3c2)C1O
InChIInChI=1S/C16H20NO6P/c18-14-9-12(5-7-24(20)21)23-16(15(14)19)22-11-3-4-13-10(8-11)2-1-6-17-13/h1-4,6,8,12,14-16,18-21H,5,7,9H2
InChIKeyOHUODPXOBZMREE-UHFFFAOYSA-N
MW353.31 g/mol
LogP1.14
Rot. Bonds5

About 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid

2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid (PubChem CID 167491390) has the molecular formula C16H20NO6P and a molecular weight of 353.31 g/mol. Its IUPAC name is 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid.

Molecular Properties

Compound Name2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid
PubChem CID167491390
Molecular FormulaC16H20NO6P
Molecular Weight353.31 g/mol
Exact Mass353.10
IUPAC Name2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid
SMILESOC1CC(CCP(O)O)OC(Oc2ccc3ncccc3c2)C1O
InChIInChI=1S/C16H20NO6P/c18-14-9-12(5-7-24(20)21)23-16(15(14)19)22-11-3-4-13-10(8-11)2-1-6-17-13/h1-4,6,8,12,14-16,18-21H,5,7,9H2
InChIKeyOHUODPXOBZMREE-UHFFFAOYSA-N
XLogP1.14
TPSA112.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol
CID 2835137
6-(azetidin-3-yloxy)quinoline;hydrochloride
CID 86262635
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(10-quinolin-6-yloxydecoxy)oxane-2,3,5-triol
CID 166517573
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(9-quinolin-6-yloxynonoxy)oxane-2,4,5-triol
CID 166703720
4-quinolin-6-yloxycyclohexan-1-amine
CID 83719875
(3R,4R,6S)-2-(hydroxymethyl)-5-methyl-6-quinolin-7-yloxyoxane-3,4-diol
CID 157081805
2-quinolin-6-yloxyacetonitrile
CID 70448045
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(2R,3R,4S,5R,6S)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-quinolin-6-yloxyoxan-4-yl]oxyoxan-2-yl]methyl acetate
CID 11400049
6-(azetidin-3-ylmethoxy)quinoline
CID 86262198
6-prop-2-enoxyquinoline
CID 21107330
6-(1,3-dioxolan-2-ylmethyl)quinoline
CID 165178213

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid?
The IUPAC name of 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid (CID 167491390) is 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid.
What is the SMILES notation for 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid?
The canonical SMILES for 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid is OC1CC(CCP(O)O)OC(Oc2ccc3ncccc3c2)C1O.
What is the InChIKey of 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid?
The InChIKey is OHUODPXOBZMREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO6P/c18-14-9-12(5-7-24(20)21)23-16(15(14)19)22-11-3-4-13-10(8-11)2-1-6-17-13/h1-4,6,8,12,14-16,18-21H,5,7,9H2.
What are the key properties of 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid?
2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid has a molecular weight of 353.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroxy-6-quinolin-6-yloxyoxan-2-yl)ethylphosphonous acid is sourced from PubChem (CID 167491390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).