3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one

C19H20N4O2 — CID 135729407

IUPAC3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C/c2cc(C)c(O)c(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-4-23-18(25)15-7-5-6-8-16(15)21-19(23)22-20-11-14-9-12(2)17(24)13(3)10-14/h5-11,24H,4H2,1-3H3,(H,21,22)/b20-11+
InChIKeyFPFNMLFPLBLVIK-RGVLZGJSSA-N
MW336.40 g/mol
LogP3.18
Rot. Bonds4

About 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one

3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one (PubChem CID 135729407) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
PubChem CID135729407
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C/c2cc(C)c(O)c(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-4-23-18(25)15-7-5-6-8-16(15)21-19(23)22-20-11-14-9-12(2)17(24)13(3)10-14/h5-11,24H,4H2,1-3H3,(H,21,22)/b20-11+
InChIKeyFPFNMLFPLBLVIK-RGVLZGJSSA-N
XLogP3.18
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
3-ethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]quinazolin-4-one
CID 8983430
3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729400
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-[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
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
CID 4672416
4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 137022224
3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625767
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one (CID 135729407) is 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one is CCn1c(N/N=C/c2cc(C)c(O)c(C)c2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is FPFNMLFPLBLVIK-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-23-18(25)15-7-5-6-8-16(15)21-19(23)22-20-11-14-9-12(2)17(24)13(3)10-14/h5-11,24H,4H2,1-3H3,(H,21,22)/b20-11+.
What are the key properties of 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one?
3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 336.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 135729407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).