3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one

C20H22N4O — CID 8983747

IUPAC3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
SMILESCCc1ccc(/C(C)=N\Nc2nc3ccccc3c(=O)n2CC)cc1
InChIInChI=1S/C20H22N4O/c1-4-15-10-12-16(13-11-15)14(3)22-23-20-21-18-9-7-6-8-17(18)19(25)24(20)5-2/h6-13H,4-5H2,1-3H3,(H,21,23)/b22-14-
InChIKeyBZKMJSAZULOLOB-HMAPJEAMSA-N
MW334.42 g/mol
LogP3.81
Rot. Bonds5

About 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one

3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one (PubChem CID 8983747) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
PubChem CID8983747
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
SMILESCCc1ccc(/C(C)=N\Nc2nc3ccccc3c(=O)n2CC)cc1
InChIInChI=1S/C20H22N4O/c1-4-15-10-12-16(13-11-15)14(3)22-23-20-21-18-9-7-6-8-17(18)19(25)24(20)5-2/h6-13H,4-5H2,1-3H3,(H,21,23)/b22-14-
InChIKeyBZKMJSAZULOLOB-HMAPJEAMSA-N
XLogP3.81
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.81
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-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one
CID 95567450
3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
CID 8983457
3-ethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]quinazolin-4-one
CID 8983430
3-ethyl-2-[(2Z)-2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylidene]hydrazinyl]quinazolin-4-one
CID 8983966
3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983492
2-[(2Z)-2-(1-benzo[e][1]benzofuran-2-ylethylidene)hydrazinyl]-3-ethylquinazolin-4-one
CID 8983920
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983820
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 8984147
2-[(2Z)-2-[1-(3,4-difluorophenyl)ethylidene]hydrazinyl]-3-(3-ethoxypropyl)quinazolin-4-one
CID 8984479

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one (CID 8983747) is 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one is CCc1ccc(/C(C)=N\Nc2nc3ccccc3c(=O)n2CC)cc1.
What is the InChIKey of 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is BZKMJSAZULOLOB-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-15-10-12-16(13-11-15)14(3)22-23-20-21-18-9-7-6-8-17(18)19(25)24(20)5-2/h6-13H,4-5H2,1-3H3,(H,21,23)/b22-14-.
What are the key properties of 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one?
3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 8983747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).