3-(2,4-dioxoquinazolin-1-yl)propanehydrazide

C11H12N4O3 — CID 818053

IUPAC3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
SMILESNNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C11H12N4O3/c12-14-9(16)5-6-15-8-4-2-1-3-7(8)10(17)13-11(15)18/h1-4H,5-6,12H2,(H,14,16)(H,13,17,18)
InChIKeyYSMVPJUVLSFSDB-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.93
Rot. Bonds3

About 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide

3-(2,4-dioxoquinazolin-1-yl)propanehydrazide (PubChem CID 818053) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
PubChem CID818053
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
SMILESNNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C11H12N4O3/c12-14-9(16)5-6-15-8-4-2-1-3-7(8)10(17)13-11(15)18/h1-4H,5-6,12H2,(H,14,16)(H,13,17,18)
InChIKeyYSMVPJUVLSFSDB-UHFFFAOYSA-N
XLogP-0.93
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
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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Related Compounds

N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119566494
N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119615038
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride
CID 119566493
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
CID 25485041
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide (CID 818053) is 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide is NNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide?
The InChIKey is YSMVPJUVLSFSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c12-14-9(16)5-6-15-8-4-2-1-3-7(8)10(17)13-11(15)18/h1-4H,5-6,12H2,(H,14,16)(H,13,17,18).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide?
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide has a molecular weight of 248.24 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)propanehydrazide is sourced from PubChem (CID 818053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).