Tert-butyl 4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-2-(phenylmethoxymethyl)piperazine-1-carboxylate

HCID 136366958

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc2c(N3CCN(C(=O)OC(C)(C)C)C(COCc4ccccc4)C3)nc(-c3ccccc3O)nc2c1
InChIKey: DJOAWLOGJGTXCX-UHFFFAOYSA-N
Molecular formula: C32H36N4O4
Average molar mass: 540.7 g/mol

Names & identifiers

Preferred name: Tert-butyl 4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-2-(phenylmethoxymethyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-2-(phenylmethoxymethyl)piperazine-1-carboxylate

Names & synonyms

SCHEMBL1624222

Database identifiers

PubChem CID: 136366958

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 88 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 40
Formal charge: 0
Complexity: 815

Related reactions

2 records

New reaction record

HRID 92642 reaction equation

HRID 92642As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 673562 reaction equation

HRID 673562As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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