2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol

C22H23NO6 — CID 123849509

IUPAC2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol
SMILESOCC1OC(c2ccc(OCc3cccc4cccnc34)cc2)C(O)C(O)C1O
InChIInChI=1S/C22H23NO6/c24-11-17-19(25)20(26)21(27)22(29-17)14-6-8-16(9-7-14)28-12-15-4-1-3-13-5-2-10-23-18(13)15/h1-10,17,19-22,24-27H,11-12H2
InChIKeySBMJZUYVTXXCAQ-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.33
Rot. Bonds5

About 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol (PubChem CID 123849509) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol
PubChem CID123849509
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol
SMILESOCC1OC(c2ccc(OCc3cccc4cccnc34)cc2)C(O)C(O)C1O
InChIInChI=1S/C22H23NO6/c24-11-17-19(25)20(26)21(27)22(29-17)14-6-8-16(9-7-14)28-12-15-4-1-3-13-5-2-10-23-18(13)15/h1-10,17,19-22,24-27H,11-12H2
InChIKeySBMJZUYVTXXCAQ-UHFFFAOYSA-N
XLogP1.33
TPSA112.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(4-bromophenoxy)methyl]quinoline
CID 28775084
2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123302128
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol
CID 172624132
(2S,3R,4R,5S)-2-(4-chlorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175028100
(2R,3R,4R,5S,6S)-2-(4-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125425129
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(1,3-oxazol-2-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11955527
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[2-(4-fluorophenoxy)ethoxy]phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 86581271
2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol
CID 70309923
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-4-pyridinyl)oxolane-3,4-diol
CID 90764255
[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol
CID 115956285
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]oxane-3,4,5-triol
CID 136721058
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol (CID 123849509) is 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol is OCC1OC(c2ccc(OCc3cccc4cccnc34)cc2)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol?
The InChIKey is SBMJZUYVTXXCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c24-11-17-19(25)20(26)21(27)22(29-17)14-6-8-16(9-7-14)28-12-15-4-1-3-13-5-2-10-23-18(13)15/h1-10,17,19-22,24-27H,11-12H2.
What are the key properties of 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol has a molecular weight of 397.43 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[4-(quinolin-8-ylmethoxy)phenyl]oxane-3,4,5-triol is sourced from PubChem (CID 123849509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).