(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine

C10H9N3O — CID 136951407

IUPAC(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine
SMILESCc1nc(/C=N/O)c2ccccc2n1
InChIInChI=1S/C10H9N3O/c1-7-12-9-5-3-2-4-8(9)10(13-7)6-11-14/h2-6,14H,1H3/b11-6+
InChIKeyLZGZYHSLIYWOKE-IZZDOVSWSA-N
MW187.20 g/mol
LogP1.75
Rot. Bonds1

About (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine

(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine (PubChem CID 136951407) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine
PubChem CID136951407
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine
SMILESCc1nc(/C=N/O)c2ccccc2n1
InChIInChI=1S/C10H9N3O/c1-7-12-9-5-3-2-4-8(9)10(13-7)6-11-14/h2-6,14H,1H3/b11-6+
InChIKeyLZGZYHSLIYWOKE-IZZDOVSWSA-N
XLogP1.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.75
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-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine (CID 136951407) is (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine is Cc1nc(/C=N/O)c2ccccc2n1.
What is the InChIKey of (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine?
The InChIKey is LZGZYHSLIYWOKE-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7-12-9-5-3-2-4-8(9)10(13-7)6-11-14/h2-6,14H,1H3/b11-6+.
What are the key properties of (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine?
(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine has a molecular weight of 187.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136951407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).