4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide

C26H25N3O3 — CID 71811260

IUPAC4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide
SMILESCCc1nc2ccc(Cc3ccc(C(=O)NO)cc3)cc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C26H25N3O3/c1-2-24-27-23-13-10-20(16-19-8-11-21(12-9-19)25(30)28-32)17-22(23)26(31)29(24)15-14-18-6-4-3-5-7-18/h3-13,17,32H,2,14-16H2,1H3,(H,28,30)
InChIKeyVLBQAJZSHGGUBQ-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.91
Rot. Bonds7

About 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide

4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide (PubChem CID 71811260) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide
PubChem CID71811260
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide
SMILESCCc1nc2ccc(Cc3ccc(C(=O)NO)cc3)cc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C26H25N3O3/c1-2-24-27-23-13-10-20(16-19-8-11-21(12-9-19)25(30)28-32)17-22(23)26(31)29(24)15-14-18-6-4-3-5-7-18/h3-13,17,32H,2,14-16H2,1H3,(H,28,30)
InChIKeyVLBQAJZSHGGUBQ-UHFFFAOYSA-N
XLogP3.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide (CID 71811260) is 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide is CCc1nc2ccc(Cc3ccc(C(=O)NO)cc3)cc2c(=O)n1CCc1ccccc1.
What is the InChIKey of 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide?
The InChIKey is VLBQAJZSHGGUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-2-24-27-23-13-10-20(16-19-8-11-21(12-9-19)25(30)28-32)17-22(23)26(31)29(24)15-14-18-6-4-3-5-7-18/h3-13,17,32H,2,14-16H2,1H3,(H,28,30).
What are the key properties of 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide?
4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide has a molecular weight of 427.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 71811260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).