Basic information
- CAS
108086-41-5- Standard SMILES
COc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1- InChIKey
CXTMXLGYEAHONQ-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Names & identifiers
- Preferred name
- 3(4H)-Quinazolineacetamide, N-(3-methoxyphenyl)-4-oxo-
- IUPAC
- N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
- English name
- N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
- Molecular formula
- C17H15N3O3
- Molecular weight
- 309.32
Names & synonyms
108086-41-53(4H)-Quinazolineacetamide, N-(3-methoxyphenyl)-4-oxo-BRN 5602349N-(3-Methoxyphenyl)-4-oxo-3(4H)-quinazolineacetamideDTXSID00148375RefChem:269713DTXCID5070866N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide3(4H)-Quinazolineacetamide,N-(3-methoxyphenyl)-4-oxo-N-(3-methoxyphenyl)-2-(4-oxo-3(4H)-quinazolinyl)acetamideN-(3-methoxyphenyl)-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamideN-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
Show more names
CBKinase1_002882CBKinase1_015282Oprea1_201825STK131576AKOS000471946ST062261AP-853/41701101BRD-K93095244-001-01-7
Database identifiers
- CAS
108086-41-5- PubChem CID
- 853099
- DTXSID
DTXSID00148375
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Melting point
- 105 °C · 105 °C(Solv: acetone (67-64-1))
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.70(Predicted)
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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