2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol

C13H17N3O — CID 62182083

IUPAC2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc2ccccc2nc1N
InChIInChI=1S/C13H17N3O/c1-16(6-7-17)9-11-8-10-4-2-3-5-12(10)15-13(11)14/h2-5,8,17H,6-7,9H2,1H3,(H2,14,15)
InChIKeyIJEQLGHKSGNSNM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.24
Rot. Bonds4

About 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol

2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol (PubChem CID 62182083) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol
PubChem CID62182083
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc2ccccc2nc1N
InChIInChI=1S/C13H17N3O/c1-16(6-7-17)9-11-8-10-4-2-3-5-12(10)15-13(11)14/h2-5,8,17H,6-7,9H2,1H3,(H2,14,15)
InChIKeyIJEQLGHKSGNSNM-UHFFFAOYSA-N
XLogP1.24
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol (CID 62182083) is 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol is CN(CCO)Cc1cc2ccccc2nc1N.
What is the InChIKey of 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol?
The InChIKey is IJEQLGHKSGNSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(6-7-17)9-11-8-10-4-2-3-5-12(10)15-13(11)14/h2-5,8,17H,6-7,9H2,1H3,(H2,14,15).
What are the key properties of 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol?
2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoquinolin-3-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 62182083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).