4-(4-Aminoquinazoline-7-ylmethyl)-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

HCID 54518399
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccc3c(N)ncnc3c2)C(=O)C1
InChIKey
YOAFNSCTBWZBSJ-UHFFFAOYSA-N
Molecular formula
C18H23N5O3
Average molar mass
357.4 g/mol
Monoisotopic mass
357.18008961

Names & identifiers

Preferred name
4-(4-Aminoquinazoline-7-ylmethyl)-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[(4-aminoquinazolin-7-yl)methyl]-3-oxopiperazine-1-carboxylate

Names & synonyms

SCHEMBL4064456YOAFNSCTBWZBSJ-UHFFFAOYSA-N4-(4-aminoquinazoline-7-ylmethyl)-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
54518399

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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