(NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine

C18H11BrN2O2 — CID 136503365

IUPAC(NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
SMILESO/N=c1\cc(-c2cc3ccccc3cn2)oc2ccc(Br)cc12
InChIInChI=1S/C18H11BrN2O2/c19-13-5-6-17-14(8-13)15(21-22)9-18(23-17)16-7-11-3-1-2-4-12(11)10-20-16/h1-10,22H/b21-15+
InChIKeyQJJGEKIKVXTVJR-RCCKNPSSSA-N
MW367.20 g/mol
LogP4.70
Rot. Bonds1

About (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine

(NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine (PubChem CID 136503365) has the molecular formula C18H11BrN2O2 and a molecular weight of 367.20 g/mol. Its IUPAC name is (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
PubChem CID136503365
Molecular FormulaC18H11BrN2O2
Molecular Weight367.20 g/mol
Exact Mass366.00
IUPAC Name(NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
SMILESO/N=c1\cc(-c2cc3ccccc3cn2)oc2ccc(Br)cc12
InChIInChI=1S/C18H11BrN2O2/c19-13-5-6-17-14(8-13)15(21-22)9-18(23-17)16-7-11-3-1-2-4-12(11)10-20-16/h1-10,22H/b21-15+
InChIKeyQJJGEKIKVXTVJR-RCCKNPSSSA-N
XLogP4.70
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.70
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-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine (CID 136503365) is (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine is O/N=c1\cc(-c2cc3ccccc3cn2)oc2ccc(Br)cc12.
What is the InChIKey of (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine?
The InChIKey is QJJGEKIKVXTVJR-RCCKNPSSSA-N. The full InChI is InChI=1S/C18H11BrN2O2/c19-13-5-6-17-14(8-13)15(21-22)9-18(23-17)16-7-11-3-1-2-4-12(11)10-20-16/h1-10,22H/b21-15+.
What are the key properties of (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine?
(NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine has a molecular weight of 367.20 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 136503365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).