N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C15H20N2O2 — CID 77034016

IUPACN-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC2CCCCO2)c2ccccc21
InChIInChI=1S/C15H20N2O2/c18-16-14-8-9-17(11-12-5-3-4-10-19-12)15-7-2-1-6-13(14)15/h1-2,6-7,12,18H,3-5,8-11H2
InChIKeyFQYDGPSXAYBRRK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.64
Rot. Bonds2

About N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77034016) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77034016
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC2CCCCO2)c2ccccc21
InChIInChI=1S/C15H20N2O2/c18-16-14-8-9-17(11-12-5-3-4-10-19-12)15-7-2-1-6-13(14)15/h1-2,6-7,12,18H,3-5,8-11H2
InChIKeyFQYDGPSXAYBRRK-UHFFFAOYSA-N
XLogP2.64
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77034016) is N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is ON=C1CCN(CC2CCCCO2)c2ccccc21.
What is the InChIKey of N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is FQYDGPSXAYBRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-16-14-8-9-17(11-12-5-3-4-10-19-12)15-7-2-1-6-13(14)15/h1-2,6-7,12,18H,3-5,8-11H2.
What are the key properties of N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 260.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77034016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).