3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one

C22H24N4O2 — CID 177494723

IUPAC3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCOc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2C2CCCCC2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-18-13-11-16(12-14-18)15-23-25-22-24-20-10-6-5-9-19(20)21(27)26(22)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,25)/b23-15+
InChIKeyKMYMKJPUONAHPH-HZHRSRAPSA-N
MW376.46 g/mol
LogP4.36
Rot. Bonds5

About 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one

3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one (PubChem CID 177494723) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
PubChem CID177494723
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCOc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2C2CCCCC2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-18-13-11-16(12-14-18)15-23-25-22-24-20-10-6-5-9-19(20)21(27)26(22)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,25)/b23-15+
InChIKeyKMYMKJPUONAHPH-HZHRSRAPSA-N
XLogP4.36
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one (CID 177494723) is 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one is COc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is KMYMKJPUONAHPH-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-18-13-11-16(12-14-18)15-23-25-22-24-20-10-6-5-9-19(20)21(27)26(22)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,25)/b23-15+.
What are the key properties of 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one?
3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 376.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 177494723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).