3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one

C20H22N4O — CID 8983457

IUPAC3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C(/C)CCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H22N4O/c1-3-24-19(25)17-11-7-8-12-18(17)21-20(24)23-22-15(2)13-14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,23)/b22-15-
InChIKeyXQFJJNHZOLJMMW-JCMHNJIXSA-N
MW334.42 g/mol
LogP3.84
Rot. Bonds6

About 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one

3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one (PubChem CID 8983457) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
PubChem CID8983457
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C(/C)CCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H22N4O/c1-3-24-19(25)17-11-7-8-12-18(17)21-20(24)23-22-15(2)13-14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,23)/b22-15-
InChIKeyXQFJJNHZOLJMMW-JCMHNJIXSA-N
XLogP3.84
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.84
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-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one
CID 71901782
3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983747
3-ethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]quinazolin-4-one
CID 8983430
3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one
CID 95567450
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
2-[(2Z)-2-(1-benzo[e][1]benzofuran-2-ylethylidene)hydrazinyl]-3-ethylquinazolin-4-one
CID 8983920
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579
2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-3-ethylquinazolin-4-one
CID 8983845
3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983492
3-ethyl-2-[(2Z)-2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylidene]hydrazinyl]quinazolin-4-one
CID 8983966
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983820
2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one
CID 8983496

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one (CID 8983457) is 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one is CCn1c(N/N=C(/C)CCc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one?
The InChIKey is XQFJJNHZOLJMMW-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-24-19(25)17-11-7-8-12-18(17)21-20(24)23-22-15(2)13-14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,23)/b22-15-.
What are the key properties of 3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one?
3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.84, 6 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-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 8983457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).