Basic information
- CAS
920317-36-8- Standard SMILES
Cc1nc2ccccc2c2cc[nH]c12- InChIKey
ACXUHCGZGZYMGI-UHFFFAOYSA-N- Molecular formula
- C12H10N2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.08439833
Overview
Marinoquinoline A is a pyrroloquinoline that is 3H-pyrrolo[2,3-c]quinoline substituted by a methyl group at position 4. It is a natural product found in Ohtaekwangia kribbensis and Rapidithrix thailandica. It has a role as a bacterial metabolite.
Names & identifiers
- Preferred name
- Marinoquinoline A
- IUPAC
- 4-methyl-3H-pyrrolo[2,3-c]quinoline
- English name
- 3H-Pyrrolo[2,3-c]quinoline, 4-methyl-
- Molecular formula
- C12H10N2
- Molecular weight
- 182.22
Names & synonyms
Marinoquinoline A4-METHYL-3H-PYRROLO[2,3-C]QUINOLINE920317-36-8DTXSID106806704-METHYL-3H-PYRROLO(2,3-C)QUINOLINERefChem:155867DTXCID00631419CHEBI:67839CHEMBL1773677SCHEMBL15188904ACXUHCGZGZYMGI-UHFFFAOYSA-NBDBM50603968
Show more names
3H-Pyrrolo[2,3-c]quinoline, 4-methyl-
AKOS032947851CS-0531309Q27136315
Database identifiers
- CAS
920317-36-8- PubChem CID
- 52952002
- DTXSID
DTXSID10680670- ChEMBL
CHEMBL1773677- ChEBI
CHEBI:67839- Nikkaji
- J2.951.184E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 375.3 · 375.3±22.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 14.82 · 14.82±0.40(Predicted)
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: Marinoquinoline A is a pyrroloquinoline. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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