Pyroquilon

HCID 91665
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Basic information

CAS
57369-32-1
Standard SMILES
O=C1CCc2cccc3c2N1CC3
InChIKey
XRJLAOUDSILTFT-UHFFFAOYSA-N
Molecular formula
C11H11NO
Average molar mass
173.21 g/mol
Monoisotopic mass
173.08406397

Overview

Pyroquilon is a pyrroloquinoline that is 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline in which the hydrogens at position 4 are replaced by an oxo group. A fungicide used to control rice blast, it is not approved wof use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a pyrroloquinoline and a delta-lactam.

Names & identifiers

Preferred name
Pyroquilon
IUPAC
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
English name
PYROQUILON
Molecular formula
C11H11NO
Molecular weight
173.21

Names & synonyms

Pyroquilon57369-32-1CoratopPyroquiloneFongoreneFongorenLilolidone1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-oneFUNGORENE1,2,5,6-TETRAHYDROPYRROLO[3,2,1-IJ]QUINOLIN-4-ONEWS195Z0WJH1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)QUINOLIN-4-ONE
Show more names
CG 114cga49104FONGARENE
1,2,5,6-Tetrahydropyrrolo(3,2,1-ij)quinolin-4-oneCG-114CGA-49104DTXSID60581324H-Pyrrolo(3,2,1-ij)quinolin-4-one, 1,2,5,6-tetrahydro-CHEBI:451414H-Pyrrolo[3,2,1-ij]quinolin-4-one, 1,2,5,6-tetrahydro-1-azatricyclo(6.3.1.0^(4,12))dodeca-4(12),5,7-trien-11-one

Database identifiers

CAS
57369-32-1
PubChem CID
91665
DTXSID
DTXSID6058132
ChEMBL
CHEMBL144366
ChEBI
CHEBI:45141
UNII
WS195Z0WJH
EC Number
611-516-6
Nikkaji
J11.751J

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15
Pesticides · 2 items

Fungicides

Active substance -> EU Pesticides database: Not approved

LogP1.57
Solubility4 mg/mL at 20 °C
Melting Point112 - 113 °C
Physical DescriptionSolid

Physicochemical properties

Melting point
112 ℃ · 112℃
Boiling point
355.2 · 355.2±42.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
vapor pressure
1.6 x · 1.6 x 10-4 Pa (20 °C)
storage temp.
0 · 0-6°C
Water Solubility
4000 mg · 4000 mg l-1 (20 °C)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information2002/2076
Hazard Classes and Categories · 3 items

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
2
rtecs
UY9480000
hs_code
29334900
risk_code
22-52/53
Signal word
Warning

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Applications

UsesPyroquilon is used for the control of blast (Pyricularia oryzae) in rice.

Upstream & downstream products

Suppliers46 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Additional notes · 1 item

DefinitionChEBI: A pyrroloquinoline that is 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline in which the hydrogens at position 4 are replaced by an oxo group. A fungicide used to control rice blast, it is not approved wof use within the Eur pean Union.

Related reactions

28 records
New reaction record

Compound notes

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