O-(3-quinolin-3-ylpropyl)hydroxylamine

C12H14N2O — CID 54489779

IUPACO-(3-quinolin-3-ylpropyl)hydroxylamine
SMILESNOCCCc1cnc2ccccc2c1
InChIInChI=1S/C12H14N2O/c13-15-7-3-4-10-8-11-5-1-2-6-12(11)14-9-10/h1-2,5-6,8-9H,3-4,7,13H2
InChIKeyICQCIZUAXSFMRF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.06
Rot. Bonds4

About O-(3-quinolin-3-ylpropyl)hydroxylamine

O-(3-quinolin-3-ylpropyl)hydroxylamine (PubChem CID 54489779) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is O-(3-quinolin-3-ylpropyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-quinolin-3-ylpropyl)hydroxylamine
PubChem CID54489779
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameO-(3-quinolin-3-ylpropyl)hydroxylamine
SMILESNOCCCc1cnc2ccccc2c1
InChIInChI=1S/C12H14N2O/c13-15-7-3-4-10-8-11-5-1-2-6-12(11)14-9-10/h1-2,5-6,8-9H,3-4,7,13H2
InChIKeyICQCIZUAXSFMRF-UHFFFAOYSA-N
XLogP2.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(3-ethoxypropyl)quinoline
CID 91801315
2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
3-(2-phenoxyethyl)quinoline
CID 54129983
2-quinolin-3-ylethanol
CID 53403774
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
3-[4-(3-ethoxyphenoxy)butyl]quinoline
CID 173263735
3-(3,3-dimethylbutyl)quinoline
CID 58808300
3-(4-phenylpentyl)quinoline
CID 158257527
3-(3-chloro-4-methylpentyl)quinoline
CID 64508881
3-(3-chloro-4,4-dimethylpentyl)quinoline
CID 64507771
3-(3-bromo-4,4-dimethylpentyl)quinoline
CID 64506762
3-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614787

Frequently Asked Questions

What is the IUPAC name of O-(3-quinolin-3-ylpropyl)hydroxylamine?
The IUPAC name of O-(3-quinolin-3-ylpropyl)hydroxylamine (CID 54489779) is O-(3-quinolin-3-ylpropyl)hydroxylamine.
What is the SMILES notation for O-(3-quinolin-3-ylpropyl)hydroxylamine?
The canonical SMILES for O-(3-quinolin-3-ylpropyl)hydroxylamine is NOCCCc1cnc2ccccc2c1.
What is the InChIKey of O-(3-quinolin-3-ylpropyl)hydroxylamine?
The InChIKey is ICQCIZUAXSFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-15-7-3-4-10-8-11-5-1-2-6-12(11)14-9-10/h1-2,5-6,8-9H,3-4,7,13H2.
What are the key properties of O-(3-quinolin-3-ylpropyl)hydroxylamine?
O-(3-quinolin-3-ylpropyl)hydroxylamine has a molecular weight of 202.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-quinolin-3-ylpropyl)hydroxylamine is sourced from PubChem (CID 54489779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).