4-Bis(2-hydroxyethyl)amino-2-(2-thienyl)quinazoline
Basic information
- CAS
58139-47-2- Standard SMILES
OCCN(CCO)c1nc(-c2cccs2)nc2ccccc12- InChIKey
ZIJZEJQXPLFJIC-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.10414797
Names & identifiers
- Preferred name
- 4-Bis(2-hydroxyethyl)amino-2-(2-thienyl)quinazoline
- IUPAC
- 2-[2-hydroxyethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]ethanol
- English name
- 4-BIS(2-HYDROXYETHYL)AMINO-2-(2-THIENYL)QUINAZOLINE
- Molecular formula
- C16H17N3O2S
- Molecular weight
- 315.39
Names & synonyms
4-Bis(2-hydroxyethyl)amino-2-(2-thienyl)quinazoline58139-47-2ETHANOL, 2,2'-((2-(2-THIENYL)-4-QUINAZOLINYL)IMINO)BIS-Ethanol, 2,2'-[[2-(2-thienyl)-4-quinazolinyl]imino]bis-SVF2F34NKX2,2'-{[2-(2-thienyl)quinazolin-4-yl]imino}diethanolDTXSID8020177DB-295249Q63088104Bis(2-hydroxyethyl)amino-2-(2-thienyl)quinazoline, 4-2,2'-[[2-(2-Thienyl)-4-quinazolinyl]imino]bis[ethanol]2,2'-{[2-(Thiophen-2-yl)quinazolin-4-yl]azanediyl}di(ethan-1-ol)
Database identifiers
- CAS
58139-47-2- PubChem CID
- 42648
- DTXSID
DTXSID8020177- UNII
- SVF2F34NKX
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 450.4 · 450.4±45.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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