quinolin-5-yloxymethanamine

C10H10N2O — CID 153359929

IUPACquinolin-5-yloxymethanamine
SMILESNCOc1cccc2ncccc12
InChIInChI=1S/C10H10N2O/c11-7-13-10-5-1-4-9-8(10)3-2-6-12-9/h1-6H,7,11H2
InChIKeyFXKPUPFFLOWGLH-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.53
Rot. Bonds2

About quinolin-5-yloxymethanamine

quinolin-5-yloxymethanamine (PubChem CID 153359929) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is quinolin-5-yloxymethanamine.

Molecular Properties

Compound Namequinolin-5-yloxymethanamine
PubChem CID153359929
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Namequinolin-5-yloxymethanamine
SMILESNCOc1cccc2ncccc12
InChIInChI=1S/C10H10N2O/c11-7-13-10-5-1-4-9-8(10)3-2-6-12-9/h1-6H,7,11H2
InChIKeyFXKPUPFFLOWGLH-UHFFFAOYSA-N
XLogP1.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
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 quinolin-5-yloxymethanamine?
The IUPAC name of quinolin-5-yloxymethanamine (CID 153359929) is quinolin-5-yloxymethanamine.
What is the SMILES notation for quinolin-5-yloxymethanamine?
The canonical SMILES for quinolin-5-yloxymethanamine is NCOc1cccc2ncccc12.
What is the InChIKey of quinolin-5-yloxymethanamine?
The InChIKey is FXKPUPFFLOWGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-7-13-10-5-1-4-9-8(10)3-2-6-12-9/h1-6H,7,11H2.
What are the key properties of quinolin-5-yloxymethanamine?
quinolin-5-yloxymethanamine has a molecular weight of 174.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-5-yloxymethanamine is sourced from PubChem (CID 153359929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).