8-Fluoroindolo[2,1-b]quinazoline-6,12-dione , CAS No.169037-58-5

CAS: 169037-58-5 Cat. No.: F668297 Molecular Weight: 266.23 PubChem CID: 478574

COA

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8-Fluoroindolo[2,1-b]quinazoline-6,12-dione - CAS No(169037-58-5) by Aladdin Scientific

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AVAILABLE TO ORDER

Synonyms

8-Fluoroindolo[2,1-b]quinazoline-6,12-dione | MLS001216278 | SMR000544298 | 8-fluorotryptanthrin | cid_478574 | BDBM48009 | MFCD06769354 | STL578399 | AKOS032433213 | SY339374 | MLS-0325297.0001 | 8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8-fluoroi

Storage

Room temperature

Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

8-Fluoroindolo[2, 1-b]quinazoline-6, 12-dione | MLS001216278 | SMR000544298 | 8-fluorotryptanthrin | cid_478574 | BDBM48009 | MFCD06769354 | STL578399 | AKOS032433213 | SY339374 | MLS-0325297.0001 | 8-fluoranylindolo[2, 1-b]quinazoline-6, 12-dione | 8-fluoroi

Storage

Room temperature

Product Properties

ALogP	2.2

Names and Identifiers

Canonical Smiles	C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)F)C(=O)C3=N2
IUPAC Name	8-fluoroindolo[2,1-b]quinazoline-6,12-dione
InChIKey	UXBGZQXHNVNPFT-UHFFFAOYSA-N
INCHI	1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)F)C(=O)C3=N2
PubChem CID	478574
Molecular Weight	266.23

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Quinazolines
        Level6 Indoloquinazolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Indoloquinazolines
Alternative Parents	Indoles Aryl ketones Pyrimidones Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indoloquinazoline - Indole - Indole or derivatives - Aryl ketone - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Ketone - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoloquinazolines. These are polycyclic aromatic compounds containing an indole fused to a quinazoline. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Quinazoline is a heterocyclic compound consisting of two fused six-membered simple aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)

Discover Target: HSP90AA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TDO2 Tchem Tryptophan 2,3-dioxygenase (4 Activities)

Discover Target: TDO2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IDO1 Tchem Indoleamine 2,3-dioxygenase 1 (7 Activities)

Discover Target: IDO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Caco-2 (12174 Activities)

Molecular Weight	266.230 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	266.049 Da
Monoisotopic Mass	266.049 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	504.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1