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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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).