(NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine

C18H12N2O2 — CID 136503347

IUPAC(NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
SMILESO/N=c1\cc(-c2cc3ccccc3cn2)oc2ccccc12
InChIInChI=1S/C18H12N2O2/c21-20-15-10-18(22-17-8-4-3-7-14(15)17)16-9-12-5-1-2-6-13(12)11-19-16/h1-11,21H/b20-15+
InChIKeyDHRTXMNISRFXBJ-HMMYKYKNSA-N
MW288.31 g/mol
LogP3.94
Rot. Bonds1

About (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine

(NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine (PubChem CID 136503347) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
PubChem CID136503347
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name(NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
SMILESO/N=c1\cc(-c2cc3ccccc3cn2)oc2ccccc12
InChIInChI=1S/C18H12N2O2/c21-20-15-10-18(22-17-8-4-3-7-14(15)17)16-9-12-5-1-2-6-13(12)11-19-16/h1-11,21H/b20-15+
InChIKeyDHRTXMNISRFXBJ-HMMYKYKNSA-N
XLogP3.94
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine (CID 136503347) is (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine is O/N=c1\cc(-c2cc3ccccc3cn2)oc2ccccc12.
What is the InChIKey of (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine?
The InChIKey is DHRTXMNISRFXBJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-20-15-10-18(22-17-8-4-3-7-14(15)17)16-9-12-5-1-2-6-13(12)11-19-16/h1-11,21H/b20-15+.
What are the key properties of (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine?
(NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine has a molecular weight of 288.31 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 136503347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).