Basic information
- CAS
892157-19-6- Standard SMILES
COC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2cnc3ccccc3c12- InChIKey
MWPXYQBHUCWOME-UHFFFAOYSA-N- Molecular formula
- C24H16N2O3
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.11609238
Names & identifiers
- Preferred name
- Methyl 3-(2-naphthoyl)pyrrolo(1,2-C)quinazoline-1-carboxylate
- IUPAC
- methyl 3-(naphthalene-2-carbonyl)pyrrolo[1,2-c]quinazoline-1-carboxylate
- English name
- Methyl 3-(2-naphthoyl)pyrrolo(1,2-c)quinazoline-1-carboxylate
- Molecular formula
- C24H16N2O3
- Molecular weight
- 380.4
Names & synonyms
AKOS024408911METHYL 3-(2-NAPHTHOYL)PYRROLO(1,2-C)QUINAZOLINE-1-CARBOXYLATEPyrrolo[1,2-c]quinazoline-1-carboxylic acid, 3-(2-naphthalenylcarbonyl)-, methyl ester
Database identifiers
- CAS
892157-19-6- PubChem CID
- 4454987
- EC Number
- 126-810-5
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- Melting point
- 223 · 223-225 °C
- Boiling point
- 516.682 · 516.682±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.303 · 1.303±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.022 · -0.022±0.30(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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