Basic information
- CAS
107400-99-7- Standard SMILES
c1ccc2c(c1)[nH]c1c(N3CCOCC3)ncnc12- InChIKey
UISSSHKLLFDNOA-UHFFFAOYSA-N- Molecular formula
- C14H14N4O
- Average molar mass
- 254.29 g/mol
- Monoisotopic mass
- 254.11676108
Names & identifiers
- Preferred name
- 4-(4-Morpholinyl)-5H-pyrimido(5,4-b)indole
- IUPAC
- 4-(5H-pyrimido[5,4-b]indol-4-yl)morpholine
Names & synonyms
107400-99-74-(4-Morpholinyl)-5H-pyrimido[5,4-b]indole4-(4-Morpholinyl)-5H-pyrimido(5,4-b)indoleRefChem:2881924-{5H-pyrimido[5,4-b]indol-4-yl}morpholine4-(5H-pyrimido[5,4-b]indol-4-yl)morpholine4-morpholino-5H-pyrimido[5,4-b]indoleMFCD001410654-(morpholin-4-yl)-5H-pyrimido[5,4-b]indoleMLS000107587Cambridge id 5647179Oprea1_785340
Show more names
Oprea1_829715CHEMBL1511497UISSSHKLLFDNOA-UHFFFAOYSA-NDTXSID601267267HMS1680H05HMS2503J04STK386393AKOS000562213
Database identifiers
- CAS
107400-99-7- PubChem CID
- 620261
- DTXSID
DTXSID601267267- ChEMBL
CHEMBL1511497
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…