(NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine

C17H14N2O2 — CID 135436858

IUPAC(NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc2cccc(OCc3ccccc3)c2n1
InChIInChI=1S/C17H14N2O2/c20-18-11-15-10-9-14-7-4-8-16(17(14)19-15)21-12-13-5-2-1-3-6-13/h1-11,20H,12H2/b18-11+
InChIKeyPYYUETKRCCGPQS-WOJGMQOQSA-N
MW278.31 g/mol
LogP3.62
Rot. Bonds4

About (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine

(NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine (PubChem CID 135436858) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine
PubChem CID135436858
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc2cccc(OCc3ccccc3)c2n1
InChIInChI=1S/C17H14N2O2/c20-18-11-15-10-9-14-7-4-8-16(17(14)19-15)21-12-13-5-2-1-3-6-13/h1-11,20H,12H2/b18-11+
InChIKeyPYYUETKRCCGPQS-WOJGMQOQSA-N
XLogP3.62
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.62
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 (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine (CID 135436858) is (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine is O/N=C/c1ccc2cccc(OCc3ccccc3)c2n1.
What is the InChIKey of (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine?
The InChIKey is PYYUETKRCCGPQS-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-18-11-15-10-9-14-7-4-8-16(17(14)19-15)21-12-13-5-2-1-3-6-13/h1-11,20H,12H2/b18-11+.
What are the key properties of (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine?
(NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine has a molecular weight of 278.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(8-phenylmethoxyquinolin-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135436858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).