(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine

C9H7N3O — CID 119083203

IUPAC(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccc2ncncc2c1
InChIInChI=1S/C9H7N3O/c13-12-4-7-1-2-9-8(3-7)5-10-6-11-9/h1-6,13H/b12-4+
InChIKeyMXMBBDJTZIPVAI-UUILKARUSA-N
MW173.18 g/mol
LogP1.44
Rot. Bonds1

About (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine

(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine (PubChem CID 119083203) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine
PubChem CID119083203
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccc2ncncc2c1
InChIInChI=1S/C9H7N3O/c13-12-4-7-1-2-9-8(3-7)5-10-6-11-9/h1-6,13H/b12-4+
InChIKeyMXMBBDJTZIPVAI-UUILKARUSA-N
XLogP1.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.44
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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Related Compounds

N-(quinazolin-8-ylmethylidene)hydroxylamine
CID 174842521
trimethyl(quinazolin-6-yl)stannane
CID 90333131
N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine
CID 131845316
acetic acid;quinazolin-6-ol
CID 68538754
N-[(6-iodo-3-pyridinyl)methylidene]hydroxylamine
CID 131847169
3-quinazolin-7-ylprop-2-enamide
CID 54137303
(NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine
CID 170578075
N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide
CID 68511183
(NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine
CID 119083195
quinazoline;sulfuric acid
CID 68666384
(E)-4-amino-4-quinazolin-6-ylbut-2-enamide
CID 70271790
(NZ)-N-[(6-chloro-3-pyridinyl)methylidene]hydroxylamine
CID 55279774

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine (CID 119083203) is (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine is O/N=C/c1ccc2ncncc2c1.
What is the InChIKey of (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine?
The InChIKey is MXMBBDJTZIPVAI-UUILKARUSA-N. The full InChI is InChI=1S/C9H7N3O/c13-12-4-7-1-2-9-8(3-7)5-10-6-11-9/h1-6,13H/b12-4+.
What are the key properties of (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine?
(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine has a molecular weight of 173.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine is sourced from PubChem (CID 119083203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).