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

C14H14N4O3 — CID 26799065

IUPACN'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=O)C1CC1
InChIInChI=1S/C14H14N4O3/c19-12(16-17-13(20)9-5-6-9)7-18-8-15-11-4-2-1-3-10(11)14(18)21/h1-4,8-9H,5-7H2,(H,16,19)(H,17,20)
InChIKeySJWRCXTZZCOLNB-UHFFFAOYSA-N
MW286.29 g/mol
LogP-0.05
Rot. Bonds3

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

N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide (PubChem CID 26799065) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
PubChem CID26799065
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=O)C1CC1
InChIInChI=1S/C14H14N4O3/c19-12(16-17-13(20)9-5-6-9)7-18-8-15-11-4-2-1-3-10(11)14(18)21/h1-4,8-9H,5-7H2,(H,16,19)(H,17,20)
InChIKeySJWRCXTZZCOLNB-UHFFFAOYSA-N
XLogP-0.05
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-0.05
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-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide
CID 7742280
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide (CID 26799065) is N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide is O=C(Cn1cnc2ccccc2c1=O)NNC(=O)C1CC1.
What is the InChIKey of N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide?
The InChIKey is SJWRCXTZZCOLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-12(16-17-13(20)9-5-6-9)7-18-8-15-11-4-2-1-3-10(11)14(18)21/h1-4,8-9H,5-7H2,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide?
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide has a molecular weight of 286.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 26799065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).