(R)-[1-(7-chloro-4-oxo-3-phenylamino-3,4-dihydro-quinazolin-2-yl)-but-3-ynyl]-carbamic acid tert-butyl ester

HCID 57695453
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Basic information

Standard SMILES
C#CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1
InChIKey
YFYWVTJUISZJNZ-GOSISDBHSA-N
Molecular formula
C23H23ClN4O3
Average molar mass
438.9 g/mol
Monoisotopic mass
438.1458683

Names & identifiers

Preferred name
(R)-[1-(7-chloro-4-oxo-3-phenylamino-3,4-dihydro-quinazolin-2-yl)-but-3-ynyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[(1R)-1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]carbamate

Names & synonyms

SCHEMBL2396939YFYWVTJUISZJNZ-GOSISDBHSA-N(R)-[1-(7-chloro-4-oxo-3-phenylamino-3,4-dihydro-quinazolin-2-yl)-but-3-ynyl]-carbamic acid tert-butyl ester[(R)-1-(7-chloro-4-oxo-3-phenylamino-3,4-dihydro-quinazolin-2-yl)-but-3-ynyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
57695453

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
83 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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