Neocryptolepine
Basic information
- CAS
114414-78-7- Standard SMILES
Cn1c2nc3ccccc3c-2cc2ccccc21- InChIKey
PZIIKMBOSNKNFZ-UHFFFAOYSA-N- Molecular formula
- C16H12N2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.10004839
Overview
5H-Quinodoline, 5-methyl- has been reported in Cryptolepis sanguinolenta with data available.
Names & identifiers
- Preferred name
- Neocryptolepine
- IUPAC
- 5-methylindolo[2,3-b]quinoline
- English name
- 5H-Quinindoline,5-methyl-
- Molecular formula
- C16H12N2
- Molecular weight
- 232.28
Names & synonyms
NEOCRYPTOLEPINE5-methylindolo[2,3-b]quinoline5-Methylindolo(2,3-b)quinolineRefChem:927602114414-78-75H-Quinindoline, 5-methyl-5-Methyl-5H-quinindoline5H-Quinodoline, 5-methyl-5-methyl-5h-indolo[2,3-b]quinolineNSC-687967CHEMBL465591NSC687967
Show more names
cryptotackieinenew cryptolepine5H-Quinindoline,5-methyl-
CHEMBL115585orb2564084SCHEMBL1833360SCHEMBL29349695DTXSID90150720GLXC-03779EX-A5436BDBM50412204
Database identifiers
- CAS
114414-78-7- PubChem CID
- 390526
- DTXSID
DTXSID90150720- ChEMBL
CHEMBL115585- Nikkaji
- J626.295C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
LogP3.04
Physicochemical properties
- Melting point
- 104 · 104-105 °C
- Boiling point
- 393.8 · 393.8±52.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 7.58 · 7.58±0.20(Predicted)
- form
- Solid
- color
- Yellow to orange
- InChI
- InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-13-12-7-3-4-8-14(12)17-16(13)18/h2-10H,1H3
- InChIKey
- PZIIKMBOSNKNFZ-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(C=CC=C2)C=C2C3C(N=C12)=CC=CC=3
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
Applications
UsesNeocryptolepine (Cryptotackieine) has antiplasmodial activity. Neocryptolepine also shows antibacterial activity against Gram-positive bacteria (MIC
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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