2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one

C20H24N4O — CID 8983496

IUPAC2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one
SMILESCCn1c(NN=C2C3CC4CC(C3)CC2C4)nc2ccccc2c1=O
InChIInChI=1S/C20H24N4O/c1-2-24-19(25)16-5-3-4-6-17(16)21-20(24)23-22-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15H,2,7-11H2,1H3,(H,21,23)/b22-18-
InChIKeyHNBZNBWIPNRSJG-PYCFMQQDSA-N
MW336.44 g/mol
LogP3.64
Rot. Bonds3

About 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one

2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one (PubChem CID 8983496) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one
PubChem CID8983496
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one
SMILESCCn1c(NN=C2C3CC4CC(C3)CC2C4)nc2ccccc2c1=O
InChIInChI=1S/C20H24N4O/c1-2-24-19(25)16-5-3-4-6-17(16)21-20(24)23-22-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15H,2,7-11H2,1H3,(H,21,23)/b22-18-
InChIKeyHNBZNBWIPNRSJG-PYCFMQQDSA-N
XLogP3.64
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-3-ethylquinazolin-4-one
CID 8983845
3-ethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]quinazolin-4-one
CID 8983430
3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
CID 8983457
3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one
CID 9299535
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983747
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579
3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one
CID 95567450
3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
3-ethyl-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]quinazolin-4-one
CID 11728249
3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729400
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one (CID 8983496) is 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one is CCn1c(NN=C2C3CC4CC(C3)CC2C4)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one?
The InChIKey is HNBZNBWIPNRSJG-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-24-19(25)16-5-3-4-6-17(16)21-20(24)23-22-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15H,2,7-11H2,1H3,(H,21,23)/b22-18-.
What are the key properties of 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one?
2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one has a molecular weight of 336.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 8983496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).