(1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol

C14H17NO2 — CID 20714290

IUPAC(1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol
SMILESCCc1nc2c([C@H](O)CO)cccc2cc1C
InChIInChI=1S/C14H17NO2/c1-3-12-9(2)7-10-5-4-6-11(13(17)8-16)14(10)15-12/h4-7,13,16-17H,3,8H2,1-2H3/t13-/m1/s1
InChIKeyPZOIJPZWOAPFML-CYBMUJFWSA-N
MW231.29 g/mol
LogP2.13
Rot. Bonds3

About (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol

(1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol (PubChem CID 20714290) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol
PubChem CID20714290
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol
SMILESCCc1nc2c([C@H](O)CO)cccc2cc1C
InChIInChI=1S/C14H17NO2/c1-3-12-9(2)7-10-5-4-6-11(13(17)8-16)14(10)15-12/h4-7,13,16-17H,3,8H2,1-2H3/t13-/m1/s1
InChIKeyPZOIJPZWOAPFML-CYBMUJFWSA-N
XLogP2.13
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol (CID 20714290) is (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol is CCc1nc2c([C@H](O)CO)cccc2cc1C.
What is the InChIKey of (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol?
The InChIKey is PZOIJPZWOAPFML-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-12-9(2)7-10-5-4-6-11(13(17)8-16)14(10)15-12/h4-7,13,16-17H,3,8H2,1-2H3/t13-/m1/s1.
What are the key properties of (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol?
(1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol has a molecular weight of 231.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-ethyl-3-methylquinolin-8-yl)ethane-1,2-diol is sourced from PubChem (CID 20714290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).