Peganine

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Basic information

CAS: 18549-38-7
Standard SMILES: O[C@@H]1CCN2Cc3ccccc3N=C12
InChIKey: YIICVSCAKJMMDJ-SNVBAGLBSA-N
Molecular formula: C11H12N2O
Average molar mass: 188.23 g/mol
Monoisotopic mass: 188.09496301

Overview

Peganine is a member of quinazolines.

Names & identifiers

Preferred name: Peganine
IUPAC: (3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol

Names & synonyms

PeganineDTXSID90332009RefChem:1094421DTXCID90283103(3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol18549-38-7AKOS006290041(R)-1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-olAC1L9DO5(R)-1,2,3,9-TETRAHYDRO-PYRROLO[2,1-B]QUINAZOLIN-3-OLCTK0A4496(+)-peganine

Show more names

Peganine ((+)-Vascine(3R)-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-olCHEBI:7949CHEMBL1456364SCHEMBL31060996STOCK1N-54068Quinazoline alkaloid derivative 1MolPort-002-506-916

Database identifiers

CAS: 18549-38-7
PubChem CID: 442929
DTXSID: DTXSID90332009
ChEMBL: CHEMBL1456364
ChEBI: CHEBI:7949
Nikkaji: J8.351H

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 264

Related reactions

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Compound notes

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