3,4-Dihydro-6-(isopropyl)-3-(4-(isopropyl)phenyl)quinazoline
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Basic information
- CAS
71412-21-0- Standard SMILES
CC(C)c1ccc(N2C=Nc3ccc(C(C)C)cc3C2)cc1- InChIKey
HPYGVQVYBLTAJP-UHFFFAOYSA-N- Molecular formula
- C20H24N2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.19394877
Names & identifiers
- Preferred name
- 3,4-Dihydro-6-(isopropyl)-3-(4-(isopropyl)phenyl)quinazoline
- IUPAC
- 6-propan-2-yl-3-(4-propan-2-ylphenyl)-4H-quinazoline
- English name
- 3,4-dihydro-6-(isopropyl)-3-[4-(isopropyl)phenyl]quinazoline
- Molecular formula
- C20H24N2
- Molecular weight
- 292.42
Names & synonyms
71412-21-03,4-Dihydro-6-(isopropyl)-3-(4-(isopropyl)phenyl)quinazoline6-propan-2-yl-3-(4-propan-2-ylphenyl)-4H-quinazolineTJ7EA689VPMLS0008610576-isopropyl-3-(4-isopropylphenyl)-3,4-dihydroquinazolineNSC-246980SMR000459841EINECS 275-427-0NSC246980Bio5B10Maybridge4_003105
Show more names
3,4-dihydro-6-(isopropyl)-3-[4-(isopropyl)phenyl]quinazolineQuinazoline, 3,4-dihydro-6-(1-methylethyl)-3-[4-(1-methylethyl)phenyl]-
UNII-TJ7EA689VPOprea1_148360cid_99600CHEMBL1524108BDBM94623DTXSID70221604HPYGVQVYBLTAJP-UHFFFAOYSA-NHMS1529N03
Database identifiers
- CAS
71412-21-0- PubChem CID
- 99600
- DTXSID
DTXSID70221604- ChEMBL
CHEMBL1524108- UNII
- TJ7EA689VP
- EC Number
- 275-427-0
- Nikkaji
- J294.998I
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
Solubility2.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 430.6 · 430.6±55.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 7.15 · 7.15±0.20(Predicted)
- FDA UNII
- 7 EA689VP · TJ7EA689VP
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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