4-oxo-3-propylquinazoline-7-carbohydrazide

C12H14N4O2 — CID 66485394

IUPAC4-oxo-3-propylquinazoline-7-carbohydrazide
SMILESCCCn1cnc2cc(C(=O)NN)ccc2c1=O
InChIInChI=1S/C12H14N4O2/c1-2-5-16-7-14-10-6-8(11(17)15-13)3-4-9(10)12(16)18/h3-4,6-7H,2,5,13H2,1H3,(H,15,17)
InChIKeyXVZVOBDCJWMXJH-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.41
Rot. Bonds3

About 4-oxo-3-propylquinazoline-7-carbohydrazide

4-oxo-3-propylquinazoline-7-carbohydrazide (PubChem CID 66485394) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-oxo-3-propylquinazoline-7-carbohydrazide.

Molecular Properties

Compound Name4-oxo-3-propylquinazoline-7-carbohydrazide
PubChem CID66485394
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-oxo-3-propylquinazoline-7-carbohydrazide
SMILESCCCn1cnc2cc(C(=O)NN)ccc2c1=O
InChIInChI=1S/C12H14N4O2/c1-2-5-16-7-14-10-6-8(11(17)15-13)3-4-9(10)12(16)18/h3-4,6-7H,2,5,13H2,1H3,(H,15,17)
InChIKeyXVZVOBDCJWMXJH-UHFFFAOYSA-N
XLogP0.41
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-oxo-3-propylquinazoline-7-carbohydrazide?
The IUPAC name of 4-oxo-3-propylquinazoline-7-carbohydrazide (CID 66485394) is 4-oxo-3-propylquinazoline-7-carbohydrazide.
What is the SMILES notation for 4-oxo-3-propylquinazoline-7-carbohydrazide?
The canonical SMILES for 4-oxo-3-propylquinazoline-7-carbohydrazide is CCCn1cnc2cc(C(=O)NN)ccc2c1=O.
What is the InChIKey of 4-oxo-3-propylquinazoline-7-carbohydrazide?
The InChIKey is XVZVOBDCJWMXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-5-16-7-14-10-6-8(11(17)15-13)3-4-9(10)12(16)18/h3-4,6-7H,2,5,13H2,1H3,(H,15,17).
What are the key properties of 4-oxo-3-propylquinazoline-7-carbohydrazide?
4-oxo-3-propylquinazoline-7-carbohydrazide has a molecular weight of 246.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propylquinazoline-7-carbohydrazide is sourced from PubChem (CID 66485394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).