Basic information
- CAS
301353-41-3- Standard SMILES
O=c1c2c(nc(NCCO)n1-c1ccccc1)-c1ccccc1CC21CCCCC1- InChIKey
JZYNHZRDVIXGJN-UHFFFAOYSA-N- Molecular formula
- C25H27N3O2
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.21032711
Names & identifiers
- Preferred name
- 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
- IUPAC
- 2-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
- English name
- 2-[(2-hydroxyethyl)amino]-3-phenyl-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
- Molecular formula
- C25H27N3O2
- Molecular weight
- 401.5
Names & synonyms
301353-41-32-(2-hydroxyethylamino)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one2-[(2-hydroxyethyl)amino]-3-phenyl-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one2-[(2-hydroxyethyl)amino]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one2-((2-hydroxyethyl)amino)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-oneOprea1_153222Oprea1_738766HMS1582K04CCG-16468STK830702AKOS001627906AJ-292/40001173
Show more names
Spiro[benzo[h]quinazoline-5(3H),1'-cyclohexan]-4(6H)-one, 2-[(2-hydroxyethyl)amino]-3-phenyl-
SR-01000431268SR-01000431268-1
Database identifiers
- CAS
301353-41-3
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 716
Physicochemical properties
- Boiling point
- 605.3 · 605.3±65.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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