2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol

C16H19NO5 — CID 142590144

IUPAC2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol
SMILESCc1ccc2cccc(OC3CC(O)C(O)C(CO)O3)c2n1
InChIInChI=1S/C16H19NO5/c1-9-5-6-10-3-2-4-12(15(10)17-9)21-14-7-11(19)16(20)13(8-18)22-14/h2-6,11,13-14,16,18-20H,7-8H2,1H3
InChIKeyDZQSUHMBOOZLHR-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.75
Rot. Bonds3

About 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol

2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol (PubChem CID 142590144) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol
PubChem CID142590144
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol
SMILESCc1ccc2cccc(OC3CC(O)C(O)C(CO)O3)c2n1
InChIInChI=1S/C16H19NO5/c1-9-5-6-10-3-2-4-12(15(10)17-9)21-14-7-11(19)16(20)13(8-18)22-14/h2-6,11,13-14,16,18-20H,7-8H2,1H3
InChIKeyDZQSUHMBOOZLHR-UHFFFAOYSA-N
XLogP0.75
TPSA92.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylquinolin-8-yl)oxycyclohexan-1-ol
CID 79618810
(3S,4R,6S)-6-(2-anilinophenoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 163726855
ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol
CID 142969500
(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
CID 170396579
ethane;2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4-diol
CID 164565492
3-(2-methylquinolin-8-yl)oxycyclobutan-1-one
CID 66368066
8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride
CID 86263246
8-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylquinoline
CID 66343452
(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 170387160
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
CID 20665518
CID 20665518

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol (CID 142590144) is 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol is Cc1ccc2cccc(OC3CC(O)C(O)C(CO)O3)c2n1.
What is the InChIKey of 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol?
The InChIKey is DZQSUHMBOOZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-9-5-6-10-3-2-4-12(15(10)17-9)21-14-7-11(19)16(20)13(8-18)22-14/h2-6,11,13-14,16,18-20H,7-8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol?
2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol has a molecular weight of 305.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol is sourced from PubChem (CID 142590144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).