2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol

C16H22N2O2 — CID 46995832

IUPAC2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol
SMILESCCc1ccc2nc(NCCOCCO)cc(C)c2c1
InChIInChI=1S/C16H22N2O2/c1-3-13-4-5-15-14(11-13)12(2)10-16(18-15)17-6-8-20-9-7-19/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyWCTGKQSNBHEIRN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.53
Rot. Bonds7

About 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol

2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol (PubChem CID 46995832) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol
PubChem CID46995832
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol
SMILESCCc1ccc2nc(NCCOCCO)cc(C)c2c1
InChIInChI=1S/C16H22N2O2/c1-3-13-4-5-15-14(11-13)12(2)10-16(18-15)17-6-8-20-9-7-19/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyWCTGKQSNBHEIRN-UHFFFAOYSA-N
XLogP2.53
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol (CID 46995832) is 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol is CCc1ccc2nc(NCCOCCO)cc(C)c2c1.
What is the InChIKey of 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol?
The InChIKey is WCTGKQSNBHEIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-13-4-5-15-14(11-13)12(2)10-16(18-15)17-6-8-20-9-7-19/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol?
2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-ethyl-4-methylquinolin-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 46995832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).