Basic information
- CAS
120075-43-6- Standard SMILES
CN(C)CCCNc1ncnc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O- InChIKey
VAQMBBQFJFTWPC-UHFFFAOYSA-N- Molecular formula
- C17H22N6O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.18042397
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6,7-Bis(1-aziridinyl)-4-((3-(dimethylamino)propyl)amino)-5,8-quinazolinedione
- IUPAC
- 6,7-bis(aziridin-1-yl)-4-[3-(dimethylamino)propylamino]quinazoline-5,8-dione
- English name
- 6,7-bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione
- Molecular formula
- C17H22N6O2
- Molecular weight
- 342.4
Names & synonyms
120075-43-66,7-Bis(1-aziridinyl)-4-((3-(N,N-dimethylamino)propyl)amino)-5,8-quinazolinedione6,7-Bis(1-aziridinyl)-4-((3-(dimethylamino)propyl)amino)-5,8-quinazolinedioneDTXSID50152669ADA-quinazolinedioneRefChem:103797DTXCID40751606,7-bis(aziridin-1-yl)-4-[3-(dimethylamino)propylamino]quinazoline-5,8-dione6,7-Di(aziridin-1-yl)-4-((3-(dimethylamino)propyl)amino)quinazoline-5,8-dione6,7-bis(aziridin-1-yl)-4-{[3-(dimethylamino)propyl]amino}-5,8-dihydroquinazoline-5,8-dioneBRN 42741446,7-Bis(1-aziridinyl)-4-(3-(N,N-dimethylamino)propylamino)-5,8-quinazolinedione
Show more names
5,8-Quinazolinedione, 6,7-bis(1-aziridinyl)-4-[[3-(dimethylamino)propyl]amino]-
CHEMBL1409565,8-Quinazolinedione, 6,7-bis(1-aziridinyl)-4-((3-(dimethylamino)propyl)amino)-6,7-bis(1-aziridinyl)-4-[[3-(N,N-dimethylamino)propyl] amino]-5,8-quinazolinedione6,7-BIS(AZIRIDIN-1-YL)-4-{[3-(DIMETHYLAMINO)PROPYL]AMINO}QUINAZOLINE-5,8-DIONE
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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