N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide

C9H10N4O2 — CID 90865674

IUPACN'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide
SMILESNC(=NO)c1ccc2c(c1)CNC(=O)N2
InChIInChI=1S/C9H10N4O2/c10-8(13-15)5-1-2-7-6(3-5)4-11-9(14)12-7/h1-3,15H,4H2,(H2,10,13)(H2,11,12,14)
InChIKeyIIQMNCNLDHFYER-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.42
Rot. Bonds1

About N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide

N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide (PubChem CID 90865674) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide
PubChem CID90865674
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide
SMILESNC(=NO)c1ccc2c(c1)CNC(=O)N2
InChIInChI=1S/C9H10N4O2/c10-8(13-15)5-1-2-7-6(3-5)4-11-9(14)12-7/h1-3,15H,4H2,(H2,10,13)(H2,11,12,14)
InChIKeyIIQMNCNLDHFYER-UHFFFAOYSA-N
XLogP0.42
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide (CID 90865674) is N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide is NC(=NO)c1ccc2c(c1)CNC(=O)N2.
What is the InChIKey of N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide?
The InChIKey is IIQMNCNLDHFYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-8(13-15)5-1-2-7-6(3-5)4-11-9(14)12-7/h1-3,15H,4H2,(H2,10,13)(H2,11,12,14).
What are the key properties of N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide?
N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide has a molecular weight of 206.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-3,4-dihydro-1H-quinazoline-6-carboximidamide is sourced from PubChem (CID 90865674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).