2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide

C14H16N4O3 — CID 24542922

IUPAC2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
SMILESCC(C)C(=O)NNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H16N4O3/c1-9(2)13(20)17-16-12(19)7-18-8-15-11-6-4-3-5-10(11)14(18)21/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyVPFDCWBFKWHIQP-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.20
Rot. Bonds3

About 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide

2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide (PubChem CID 24542922) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
PubChem CID24542922
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
SMILESCC(C)C(=O)NNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H16N4O3/c1-9(2)13(20)17-16-12(19)7-18-8-15-11-6-4-3-5-10(11)14(18)21/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyVPFDCWBFKWHIQP-UHFFFAOYSA-N
XLogP0.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
2-methyl-N-[4-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 55708476
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide?
The IUPAC name of 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide (CID 24542922) is 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide?
The canonical SMILES for 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide is CC(C)C(=O)NNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide?
The InChIKey is VPFDCWBFKWHIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(2)13(20)17-16-12(19)7-18-8-15-11-6-4-3-5-10(11)14(18)21/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide?
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide has a molecular weight of 288.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide is sourced from PubChem (CID 24542922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).