Basic information
- Standard SMILES
CCC(CC)C(=O)Nc1ccc2ncnc(NC=C(C(=O)OC)C(=O)OC)c2c1- InChIKey
HHQSTFZRTHTZFX-UHFFFAOYSA-N- Molecular formula
- C20H24N4O5
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.17466988
Names & identifiers
- Preferred name
- Dimethyl[[6-(2-ethylbutyramido)-4-quinazolinylamino]methylene]propanedioate
- IUPAC
- dimethyl 2-[[[6-(2-ethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate
Names & synonyms
SCHEMBL10970640HHQSTFZRTHTZFX-UHFFFAOYSA-Ndimethyl [[6-(2-ethylbutyramido)-4-quinazolinylamino]methylene]propanedioatedimethyl[[6-(2-ethylbutyramido)-4-quinazolinylamino]methylene]propanedioate
Database identifiers
- PubChem CID
- 13060503
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 602
Related reactions
7 records
Compound notes
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