4-Chloro-2-(4-methoxyphenyl)quinazoline
Basic information
- CAS
55391-00-9- Standard SMILES
COc1ccc(-c2nc(Cl)c3ccccc3n2)cc1- InChIKey
CRHKQTMYCDKELI-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.0559907
Names & identifiers
- Preferred name
- 4-Chloro-2-(4-methoxyphenyl)quinazoline
- IUPAC
- 4-chloro-2-(4-methoxyphenyl)quinazoline
- English name
- 4-Chloro-2-(4-methoxy-phenyl)-quinazoline
- Molecular formula
- C15H11ClN2O
- Molecular weight
- 270.71
Names & synonyms
4-chloro-2-(4-methoxyphenyl)quinazoline55391-00-9DTXSID50352708RefChem:291431DTXCID303037734-Chloro-2-(4-methoxy-phenyl)-quinazolineMFCD03847393F3098-8763SCHEMBL16404325AKOS000200071AB16813AC-37422
Show more names
AURORA 197114-Chloro-2-(4-methoxy-phenyl)-quizolineQuinazoline, 4-chloro-2-(4-methoxyphenyl)-
DB-071989CS-0453572ST502021361-(4-chloroquinazolin-2-yl)-4-methoxybenzeneF774564SR-01000320460SR-01000320460-1
Database identifiers
- CAS
55391-00-9- PubChem CID
- 734302
- DTXSID
DTXSID50352708- Nikkaji
- J2.866.311K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 123 °C · 123 °C(Solv: ethanol (64-17-5))
- Boiling point
- 338.9 · 338.9±34.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- 0.84 · 0.84±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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