(NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine

C17H11N3O2 — CID 136503371

IUPAC(NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine
SMILESO/N=c1\cc(-c2cc3cnccc3cn2)oc2ccccc12
InChIInChI=1S/C17H11N3O2/c21-20-14-8-17(22-16-4-2-1-3-13(14)16)15-7-12-9-18-6-5-11(12)10-19-15/h1-10,21H/b20-14+
InChIKeyIGQHPYKYEOLMEY-XSFVSMFZSA-N
MW289.29 g/mol
LogP3.33
Rot. Bonds1

About (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine

(NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine (PubChem CID 136503371) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine
PubChem CID136503371
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name(NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine
SMILESO/N=c1\cc(-c2cc3cnccc3cn2)oc2ccccc12
InChIInChI=1S/C17H11N3O2/c21-20-14-8-17(22-16-4-2-1-3-13(14)16)15-7-12-9-18-6-5-11(12)10-19-15/h1-10,21H/b20-14+
InChIKeyIGQHPYKYEOLMEY-XSFVSMFZSA-N
XLogP3.33
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine (CID 136503371) is (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine is O/N=c1\cc(-c2cc3cnccc3cn2)oc2ccccc12.
What is the InChIKey of (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine?
The InChIKey is IGQHPYKYEOLMEY-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-20-14-8-17(22-16-4-2-1-3-13(14)16)15-7-12-9-18-6-5-11(12)10-19-15/h1-10,21H/b20-14+.
What are the key properties of (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine?
(NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine has a molecular weight of 289.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(2,6-naphthyridin-3-yl)chromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 136503371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).