N'-quinazolin-4-ylpropanehydrazide

C11H12N4O — CID 2543154

IUPACN'-quinazolin-4-ylpropanehydrazide
SMILESCCC(=O)NNc1ncnc2ccccc12
InChIInChI=1S/C11H12N4O/c1-2-10(16)14-15-11-8-5-3-4-6-9(8)12-7-13-11/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyKDOGVSCFOXUPFH-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.48
Rot. Bonds3

About N'-quinazolin-4-ylpropanehydrazide

N'-quinazolin-4-ylpropanehydrazide (PubChem CID 2543154) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-quinazolin-4-ylpropanehydrazide.

Molecular Properties

Compound NameN'-quinazolin-4-ylpropanehydrazide
PubChem CID2543154
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN'-quinazolin-4-ylpropanehydrazide
SMILESCCC(=O)NNc1ncnc2ccccc12
InChIInChI=1S/C11H12N4O/c1-2-10(16)14-15-11-8-5-3-4-6-9(8)12-7-13-11/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyKDOGVSCFOXUPFH-UHFFFAOYSA-N
XLogP1.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-quinazolin-4-ylpropanehydrazide?
The IUPAC name of N'-quinazolin-4-ylpropanehydrazide (CID 2543154) is N'-quinazolin-4-ylpropanehydrazide.
What is the SMILES notation for N'-quinazolin-4-ylpropanehydrazide?
The canonical SMILES for N'-quinazolin-4-ylpropanehydrazide is CCC(=O)NNc1ncnc2ccccc12.
What is the InChIKey of N'-quinazolin-4-ylpropanehydrazide?
The InChIKey is KDOGVSCFOXUPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-10(16)14-15-11-8-5-3-4-6-9(8)12-7-13-11/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of N'-quinazolin-4-ylpropanehydrazide?
N'-quinazolin-4-ylpropanehydrazide has a molecular weight of 216.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-quinazolin-4-ylpropanehydrazide is sourced from PubChem (CID 2543154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).