O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine

C25H32N2O2 — CID 10786723

IUPACO-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine
SMILESCCCCCCCCC(ON)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-12-25(29-26)21-14-17-23(18-15-21)28-19-22-16-13-20-10-8-9-11-24(20)27-22/h8-11,13-18,25H,2-7,12,19,26H2,1H3
InChIKeyIIYREBKBACDRAC-UHFFFAOYSA-N
MW392.54 g/mol
LogP6.50
Rot. Bonds12

About O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine

O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine (PubChem CID 10786723) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine.

Molecular Properties

Compound NameO-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine
PubChem CID10786723
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameO-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine
SMILESCCCCCCCCC(ON)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-12-25(29-26)21-14-17-23(18-15-21)28-19-22-16-13-20-10-8-9-11-24(20)27-22/h8-11,13-18,25H,2-7,12,19,26H2,1H3
InChIKeyIIYREBKBACDRAC-UHFFFAOYSA-N
XLogP6.50
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 11793527
O-[2-cyclohexyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 10619562
N-pentyl-4-(quinolin-2-ylmethoxy)aniline
CID 19801895
7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol
CID 10092565
2-(dodecoxymethyl)quinoline
CID 14754989
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]isoindole-1,3-dione
CID 11800504
CID 162335511
CID 162335511
1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
CID 21280540
2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349128

Frequently Asked Questions

What is the IUPAC name of O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine?
The IUPAC name of O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine (CID 10786723) is O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine.
What is the SMILES notation for O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine?
The canonical SMILES for O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine is CCCCCCCCC(ON)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine?
The InChIKey is IIYREBKBACDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-12-25(29-26)21-14-17-23(18-15-21)28-19-22-16-13-20-10-8-9-11-24(20)27-22/h8-11,13-18,25H,2-7,12,19,26H2,1H3.
What are the key properties of O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine?
O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine has a molecular weight of 392.54 g/mol, XLogP of 6.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine is sourced from PubChem (CID 10786723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).