2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol

C15H19ClN2O2 — CID 123802398

IUPAC2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol
SMILESCCN(CCO)CCOc1cnc2ccc(Cl)cc2c1
InChIInChI=1S/C15H19ClN2O2/c1-2-18(5-7-19)6-8-20-14-10-12-9-13(16)3-4-15(12)17-11-14/h3-4,9-11,19H,2,5-8H2,1H3
InChIKeyADASPCDJPXBXSH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol

2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol (PubChem CID 123802398) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol
PubChem CID123802398
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol
SMILESCCN(CCO)CCOc1cnc2ccc(Cl)cc2c1
InChIInChI=1S/C15H19ClN2O2/c1-2-18(5-7-19)6-8-20-14-10-12-9-13(16)3-4-15(12)17-11-14/h3-4,9-11,19H,2,5-8H2,1H3
InChIKeyADASPCDJPXBXSH-UHFFFAOYSA-N
XLogP2.58
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol?
The IUPAC name of 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol (CID 123802398) is 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol is CCN(CCO)CCOc1cnc2ccc(Cl)cc2c1.
What is the InChIKey of 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol?
The InChIKey is ADASPCDJPXBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-18(5-7-19)6-8-20-14-10-12-9-13(16)3-4-15(12)17-11-14/h3-4,9-11,19H,2,5-8H2,1H3.
What are the key properties of 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol?
2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol has a molecular weight of 294.78 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol is sourced from PubChem (CID 123802398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).