Basic information
- CAS
60811-38-3- Standard SMILES
Cc1ccc2nc3n(c(=O)c2c1)CCC3- InChIKey
WGMDMAZNZCEADV-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.09496301
Names & identifiers
- Preferred name
- 7-Methyl-2,3-dihydropyrrolo(2,1-B)quinazolin-9(1H)-one
- IUPAC
- 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
- English name
- 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
- Molecular formula
- C12H12N2O
- Molecular weight
- 200.24
Names & synonyms
7-methyl-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-oneMLS0000898597-METHYL-2,3-DIHYDROPYRROLO(2,1-B)QUINAZOLIN-9(1H)-ONECHEMBL1192110SCHEMBL12457528HMS2505I18CCG-18886AKOS002348679SMR000024477AB00404177MLS-0053964.0001SR-01000471224
Show more names
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-onePyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-7-methyl-
SR-01000471224-1
Database identifiers
- CAS
60811-38-3- PubChem CID
- 730195
- ChEMBL
CHEMBL1192110- EC Number
- 122-737-8
- Nikkaji
- J1.801.131J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 374.5 · 374.5±35.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.20(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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