Basic information
- CAS
56044-17-8- Standard SMILES
Nc1nc(N)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2n1- InChIKey
YBAKFGRONMKSCX-UHFFFAOYSA-N- Molecular formula
- C17H17N5O2S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.11029598
Names & identifiers
- Preferred name
- 6-(3,4-Dihydro-1H-isoquinoline-2-sulfonyl)-quinazoline-2,4-diamine
- IUPAC
- 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinazoline-2,4-diamine
Names & synonyms
56044-17-86-(3,4-Dihydro-1H-isoquinoline-2-sulfonyl)-quinazoline-2,4-diamineDTXSID50204591RefChem:306545DTXCID801270826-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)quinazoline-2,4-diamine6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)quinazoline-2,4-diamine6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinazoline-2,4-diamineCHEMBL48471YBAKFGRONMKSCX-UHFFFAOYSA-N6-(3,4-Dihydroisoquinoline-2(1H)-sulfonyl)quinazoline-2,4-diamine2-[[2-2,4-Diamino-6-quinazolinyl]sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Show more names
6-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-2,4-quinazolinediamine #
Database identifiers
- CAS
56044-17-8- PubChem CID
- 516587
- DTXSID
DTXSID50204591- ChEMBL
CHEMBL48471
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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