2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide

C22H26N4O3 — CID 7742280

IUPAC2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N4O3/c27-19(11-22-8-14-5-15(9-22)7-16(6-14)10-22)24-25-20(28)12-26-13-23-18-4-2-1-3-17(18)21(26)29/h1-4,13-16H,5-12H2,(H,24,27)(H,25,28)
InChIKeyNBHYFEIZJLFWRP-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.15
Rot. Bonds4

About 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide

2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide (PubChem CID 7742280) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide
PubChem CID7742280
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N4O3/c27-19(11-22-8-14-5-15(9-22)7-16(6-14)10-22)24-25-20(28)12-26-13-23-18-4-2-1-3-17(18)21(26)29/h1-4,13-16H,5-12H2,(H,24,27)(H,25,28)
InChIKeyNBHYFEIZJLFWRP-UHFFFAOYSA-N
XLogP2.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.15
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

N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
CID 17429775
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
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-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9468840
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-[[(1R)-2,2-dichlorocyclopropyl]methyl]quinazolin-4-one
CID 9138172

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide (CID 7742280) is 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide is O=C(Cn1cnc2ccccc2c1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide?
The InChIKey is NBHYFEIZJLFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-19(11-22-8-14-5-15(9-22)7-16(6-14)10-22)24-25-20(28)12-26-13-23-18-4-2-1-3-17(18)21(26)29/h1-4,13-16H,5-12H2,(H,24,27)(H,25,28).
What are the key properties of 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide?
2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide has a molecular weight of 394.48 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide is sourced from PubChem (CID 7742280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).