(NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine

C15H10BrN3O — CID 135570543

IUPAC(NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C15H10BrN3O/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19-14(18-13)9-17-20/h1-9,20H/b17-9+
InChIKeyIWPIQJACBIHKRL-RQZCQDPDSA-N
MW328.17 g/mol
LogP3.87
Rot. Bonds2

About (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine

(NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine (PubChem CID 135570543) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine
PubChem CID135570543
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name(NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C15H10BrN3O/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19-14(18-13)9-17-20/h1-9,20H/b17-9+
InChIKeyIWPIQJACBIHKRL-RQZCQDPDSA-N
XLogP3.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.87
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-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine (CID 135570543) is (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine is O/N=C/c1nc(-c2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine?
The InChIKey is IWPIQJACBIHKRL-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19-14(18-13)9-17-20/h1-9,20H/b17-9+.
What are the key properties of (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine?
(NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine has a molecular weight of 328.17 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135570543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).