2-[(2-aminoquinolin-7-yl)methoxy]ethanol

C12H14N2O2 — CID 11378974

IUPAC2-[(2-aminoquinolin-7-yl)methoxy]ethanol
SMILESNc1ccc2ccc(COCCO)cc2n1
InChIInChI=1S/C12H14N2O2/c13-12-4-3-10-2-1-9(7-11(10)14-12)8-16-6-5-15/h1-4,7,15H,5-6,8H2,(H2,13,14)
InChIKeyKTKYQKCSHKGJEE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.33
Rot. Bonds4

About 2-[(2-aminoquinolin-7-yl)methoxy]ethanol

2-[(2-aminoquinolin-7-yl)methoxy]ethanol (PubChem CID 11378974) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(2-aminoquinolin-7-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(2-aminoquinolin-7-yl)methoxy]ethanol
PubChem CID11378974
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[(2-aminoquinolin-7-yl)methoxy]ethanol
SMILESNc1ccc2ccc(COCCO)cc2n1
InChIInChI=1S/C12H14N2O2/c13-12-4-3-10-2-1-9(7-11(10)14-12)8-16-6-5-15/h1-4,7,15H,5-6,8H2,(H2,13,14)
InChIKeyKTKYQKCSHKGJEE-UHFFFAOYSA-N
XLogP1.33
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.33
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-aminoquinolin-7-yl)methoxy]ethanol?
The IUPAC name of 2-[(2-aminoquinolin-7-yl)methoxy]ethanol (CID 11378974) is 2-[(2-aminoquinolin-7-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(2-aminoquinolin-7-yl)methoxy]ethanol?
The canonical SMILES for 2-[(2-aminoquinolin-7-yl)methoxy]ethanol is Nc1ccc2ccc(COCCO)cc2n1.
What is the InChIKey of 2-[(2-aminoquinolin-7-yl)methoxy]ethanol?
The InChIKey is KTKYQKCSHKGJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-12-4-3-10-2-1-9(7-11(10)14-12)8-16-6-5-15/h1-4,7,15H,5-6,8H2,(H2,13,14).
What are the key properties of 2-[(2-aminoquinolin-7-yl)methoxy]ethanol?
2-[(2-aminoquinolin-7-yl)methoxy]ethanol has a molecular weight of 218.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoquinolin-7-yl)methoxy]ethanol is sourced from PubChem (CID 11378974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).