1-(quinolin-3-ylmethylamino)ethanol

C12H14N2O — CID 143559456

IUPAC1-(quinolin-3-ylmethylamino)ethanol
SMILESCC(O)NCc1cnc2ccccc2c1
InChIInChI=1S/C12H14N2O/c1-9(15)13-7-10-6-11-4-2-3-5-12(11)14-8-10/h2-6,8-9,13,15H,7H2,1H3
InChIKeyUQMZGCNLMCNVLV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.66
Rot. Bonds3

About 1-(quinolin-3-ylmethylamino)ethanol

1-(quinolin-3-ylmethylamino)ethanol (PubChem CID 143559456) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(quinolin-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(quinolin-3-ylmethylamino)ethanol
PubChem CID143559456
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(quinolin-3-ylmethylamino)ethanol
SMILESCC(O)NCc1cnc2ccccc2c1
InChIInChI=1S/C12H14N2O/c1-9(15)13-7-10-6-11-4-2-3-5-12(11)14-8-10/h2-6,8-9,13,15H,7H2,1H3
InChIKeyUQMZGCNLMCNVLV-UHFFFAOYSA-N
XLogP1.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-3-ylmethylamino)ethanol?
The IUPAC name of 1-(quinolin-3-ylmethylamino)ethanol (CID 143559456) is 1-(quinolin-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-(quinolin-3-ylmethylamino)ethanol?
The canonical SMILES for 1-(quinolin-3-ylmethylamino)ethanol is CC(O)NCc1cnc2ccccc2c1.
What is the InChIKey of 1-(quinolin-3-ylmethylamino)ethanol?
The InChIKey is UQMZGCNLMCNVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(15)13-7-10-6-11-4-2-3-5-12(11)14-8-10/h2-6,8-9,13,15H,7H2,1H3.
What are the key properties of 1-(quinolin-3-ylmethylamino)ethanol?
1-(quinolin-3-ylmethylamino)ethanol has a molecular weight of 202.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-3-ylmethylamino)ethanol is sourced from PubChem (CID 143559456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).