N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine

C20H20N2O2 — CID 54120459

IUPACN-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
SMILESONC1CCCc2cc(OCc3ccc4ccccc4n3)ccc21
InChIInChI=1S/C20H20N2O2/c23-22-20-7-3-5-15-12-17(10-11-18(15)20)24-13-16-9-8-14-4-1-2-6-19(14)21-16/h1-2,4,6,8-12,20,22-23H,3,5,7,13H2
InChIKeyNNIIPAAZLMKEKO-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.17
Rot. Bonds4

About N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine

N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine (PubChem CID 54120459) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine.

Molecular Properties

Compound NameN-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
PubChem CID54120459
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
SMILESONC1CCCc2cc(OCc3ccc4ccccc4n3)ccc21
InChIInChI=1S/C20H20N2O2/c23-22-20-7-3-5-15-12-17(10-11-18(15)20)24-13-16-9-8-14-4-1-2-6-19(14)21-16/h1-2,4,6,8-12,20,22-23H,3,5,7,13H2
InChIKeyNNIIPAAZLMKEKO-UHFFFAOYSA-N
XLogP4.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine?
The IUPAC name of N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine (CID 54120459) is N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine.
What is the SMILES notation for N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine?
The canonical SMILES for N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine is ONC1CCCc2cc(OCc3ccc4ccccc4n3)ccc21.
What is the InChIKey of N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine?
The InChIKey is NNIIPAAZLMKEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-22-20-7-3-5-15-12-17(10-11-18(15)20)24-13-16-9-8-14-4-1-2-6-19(14)21-16/h1-2,4,6,8-12,20,22-23H,3,5,7,13H2.
What are the key properties of N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine?
N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine has a molecular weight of 320.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine is sourced from PubChem (CID 54120459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).