Basic information
- Standard SMILES
CCCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1C(=O)CC(=O)c1ccc(Cl)s1- InChIKey
QHCJJDVEXUJHGQ-UHFFFAOYSA-N- Molecular formula
- C23H24ClN5O3S
- Average molar mass
- 486 g/mol
- Monoisotopic mass
- 485.1288385
Names & identifiers
- Preferred name
- 1-[4-(4-Aminoquinazoline-7-ylmethyl)-3-oxo-2-propyl-piperazine-1-yl]-3-(5-chloro-thiophen-2-yl)-propane-1,3,dione
- IUPAC
- 1-[4-[(4-aminoquinazolin-7-yl)methyl]-3-oxo-2-propylpiperazin-1-yl]-3-(5-chlorothiophen-2-yl)propane-1,3-dione
Names & synonyms
SCHEMBL1387004QHCJJDVEXUJHGQ-UHFFFAOYSA-N1-[4-(4-aminoquinazoline-7-ylmethyl)-3-oxo-2-propyl-piperazine-1-yl]-3-(5-chloro-thiophen-2-yl)-propane-1,3,dione
Database identifiers
- PubChem CID
- 87236591
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 743
Related reactions
2 records
Compound notes
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