1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride

C10H13ClN2O2 — CID 67793338

IUPAC1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCl.NCON1C(=O)CCc2ccccc21
InChIInChI=1S/C10H12N2O2.ClH/c11-7-14-12-9-4-2-1-3-8(9)5-6-10(12)13;/h1-4H,5-7,11H2;1H
InChIKeyWMINXFOEXKCUNS-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.24
Rot. Bonds2

About 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride

1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 67793338) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID67793338
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCl.NCON1C(=O)CCc2ccccc21
InChIInChI=1S/C10H12N2O2.ClH/c11-7-14-12-9-4-2-1-3-8(9)5-6-10(12)13;/h1-4H,5-7,11H2;1H
InChIKeyWMINXFOEXKCUNS-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.24
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 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride (CID 67793338) is 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride is Cl.NCON1C(=O)CCc2ccccc21.
What is the InChIKey of 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is WMINXFOEXKCUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.ClH/c11-7-14-12-9-4-2-1-3-8(9)5-6-10(12)13;/h1-4H,5-7,11H2;1H.
What are the key properties of 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride?
1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 67793338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).