ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine

C12H16N2O2 — CID 157043543

IUPACethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
SMILESCC.COc1ccc2nccc(ON)c2c1
InChIInChI=1S/C10H10N2O2.C2H6/c1-13-7-2-3-9-8(6-7)10(14-11)4-5-12-9;1-2/h2-6H,11H2,1H3;1-2H3
InChIKeyUXKVRXSQOVSOBS-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.52
Rot. Bonds2

About ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine

ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine (PubChem CID 157043543) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine.

Molecular Properties

Compound Nameethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
PubChem CID157043543
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
SMILESCC.COc1ccc2nccc(ON)c2c1
InChIInChI=1S/C10H10N2O2.C2H6/c1-13-7-2-3-9-8(6-7)10(14-11)4-5-12-9;1-2/h2-6H,11H2,1H3;1-2H3
InChIKeyUXKVRXSQOVSOBS-UHFFFAOYSA-N
XLogP2.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-4-prop-2-enoxyquinoline
CID 86730706
4,7-dimethoxyquinoline
CID 20743716
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
CID 10827290
4-tert-butyl-6-methoxyquinoline
CID 58989607
4-benzylperoxy-6-methoxyquinoline
CID 141085895
6-methoxy-4-(1-methylpyrrolidin-3-yl)oxyquinoline
CID 126953937
6-methoxyquinoline-4-sulfonic acid
CID 119093175
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
(E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol
CID 66737451

Frequently Asked Questions

What is the IUPAC name of ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine?
The IUPAC name of ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine (CID 157043543) is ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine.
What is the SMILES notation for ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine?
The canonical SMILES for ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine is CC.COc1ccc2nccc(ON)c2c1.
What is the InChIKey of ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine?
The InChIKey is UXKVRXSQOVSOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C2H6/c1-13-7-2-3-9-8(6-7)10(14-11)4-5-12-9;1-2/h2-6H,11H2,1H3;1-2H3.
What are the key properties of ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine?
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine has a molecular weight of 220.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine is sourced from PubChem (CID 157043543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).