Basic information
- CAS
70179-78-1- Standard SMILES
CCN(CC)c1ccc2c(c1)Cc1c(C(N)=O)c(=N)n3c(c1=C2)=Nc1ccccc1C3- InChIKey
NXWGKPYPFXPEPR-UHFFFAOYSA-N- Molecular formula
- C25H25N5O
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.20591044
Names & identifiers
- Preferred name
- 5H-Benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, 11-(diethylamino)-7,9-dihydro-7-imino-
- IUPAC
- 18-(diethylamino)-12-imino-3,11-diazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(22),2,4,6,8,13,16(21),17,19-nonaene-13-carboxamide
- English name
- 11-(Diethylamino)-7,9-dihydro-7-imino-5H-benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide
- Molecular formula
- C25H25N5O
- Molecular weight
- 411.5
Names & synonyms
5H-Benz(6,7)isoquino(1,2-b)quinazoline-8-carboxamide, 11-(diethylamino)-7,9-dihydro-7-imino-DTXSID30720345H-Benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, 11-(diethylamino)-7,9-dihydro-7-imino-RefChem:538249DTXCID604663070179-78-111-(Diethylamino)-7-imino-7,9-dihydro-5H-benzo[6,7]isoquinolino[1,2-b]quinazoline-8-carboxamideDTXSID10276118NXWGKPYPFXPEPR-UHFFFAOYSA-N11-(Diethylamino)-7,9-dihydro-7-imino-5H-benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide
Database identifiers
- CAS
70179-78-1、7252-92-8- PubChem CID
- 112368
- DTXSID
DTXSID10276118- Nikkaji
- J441.331H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 867
Physicochemical properties
- EPA Substance Registry System
- 5 H-Benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, · 5H-Benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, 11-(diethylamino)-7,9-dihydro-7-imino- (70179-78-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5H-Benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, 11-(diethylamino)-7,9-dihydro-7-imino-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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