3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine

C16H23N3O — CID 81074205

IUPAC3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine
SMILESCCOCCN(C)Cc1cc2ccccc2nc1NC
InChIInChI=1S/C16H23N3O/c1-4-20-10-9-19(3)12-14-11-13-7-5-6-8-15(13)18-16(14)17-2/h5-8,11H,4,9-10,12H2,1-3H3,(H,17,18)
InChIKeyUBZQQOKTEDHKMO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.74
Rot. Bonds7

About 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine

3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine (PubChem CID 81074205) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine
PubChem CID81074205
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine
SMILESCCOCCN(C)Cc1cc2ccccc2nc1NC
InChIInChI=1S/C16H23N3O/c1-4-20-10-9-19(3)12-14-11-13-7-5-6-8-15(13)18-16(14)17-2/h5-8,11H,4,9-10,12H2,1-3H3,(H,17,18)
InChIKeyUBZQQOKTEDHKMO-UHFFFAOYSA-N
XLogP2.74
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
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 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine?
The IUPAC name of 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine (CID 81074205) is 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine.
What is the SMILES notation for 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine?
The canonical SMILES for 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine is CCOCCN(C)Cc1cc2ccccc2nc1NC.
What is the InChIKey of 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine?
The InChIKey is UBZQQOKTEDHKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-20-10-9-19(3)12-14-11-13-7-5-6-8-15(13)18-16(14)17-2/h5-8,11H,4,9-10,12H2,1-3H3,(H,17,18).
What are the key properties of 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine?
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 81074205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).