(NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine

C9H7N3O — CID 136952912

IUPAC(NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ncnc2ccccc12
InChIInChI=1S/C9H7N3O/c13-12-5-9-7-3-1-2-4-8(7)10-6-11-9/h1-6,13H/b12-5+
InChIKeyVGKMHRFVDSXGCM-LFYBBSHMSA-N
MW173.18 g/mol
LogP1.44
Rot. Bonds1

About (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine

(NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine (PubChem CID 136952912) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine
PubChem CID136952912
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name(NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ncnc2ccccc12
InChIInChI=1S/C9H7N3O/c13-12-5-9-7-3-1-2-4-8(7)10-6-11-9/h1-6,13H/b12-5+
InChIKeyVGKMHRFVDSXGCM-LFYBBSHMSA-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

(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine
CID 136951407
N-(acridin-9-ylmethylidene)hydroxylamine
CID 173111257
2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
CID 135713775
(NE)-N-(1,2-benzothiazol-3-ylmethylidene)hydroxylamine
CID 136948288
ethane;methanol;4-methylquinazoline
CID 91108480
N-[(2-methylindazol-3-yl)methylidene]hydroxylamine
CID 827989
hydron;quinazolin-4-amine
CID 174478214
benzene;4-methylquinazoline
CID 174274782
azane;quinazolin-4-amine
CID 172800040
quinazolin-4-ylthiourea
CID 22649288
(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine
CID 11805473
quinazoline-4-sulfinic acid
CID 67245801

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine (CID 136952912) is (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine is O/N=C/c1ncnc2ccccc12.
What is the InChIKey of (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine?
The InChIKey is VGKMHRFVDSXGCM-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H7N3O/c13-12-5-9-7-3-1-2-4-8(7)10-6-11-9/h1-6,13H/b12-5+.
What are the key properties of (NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine?
(NE)-N-(quinazolin-4-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-4-ylmethylidene)hydroxylamine is sourced from PubChem (CID 136952912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).