Basic information
- CAS
586990-36-5- Standard SMILES
N#Cc1c(N)nc2c(c1-c1ccc[nH]1)CCCC2- InChIKey
PBELVSICICGDPD-UHFFFAOYSA-N- Molecular formula
- C14H14N4
- Average molar mass
- 238.29 g/mol
- Monoisotopic mass
- 238.12184646
Names & identifiers
- Preferred name
- 2-amino-4-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-4-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 3-Quinolinecarbonitrile,2-amino-5,6,7,8-tetrahydro-4-(1H-pyrrol-2-yl)-(9CI)
- Molecular formula
- C14H14N4
- Molecular weight
- 238.29
Names & synonyms
586990-36-52-amino-4-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrileDTXSID60405052DB-2718823-QUINOLINECARBONITRILE, 2-AMINO-5,6,7,8-TETRAHYDRO-4-(1H-PYRROL-2-YL)-2-AMINO-5,6,7,8-TETRAHYDRO-4-(1H-PYRROL-2-YL)-3-QUINOLINECARBONITRILE3-Quinolinecarbonitrile,2-amino-5,6,7,8-tetrahydro-4-(1H-pyrrol-2-yl)-(9CI)
Database identifiers
- CAS
586990-36-5- PubChem CID
- 4635971
- DTXSID
DTXSID60405052
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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