Basic information
- CAS
171745-13-4- Standard SMILES
CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC- InChIKey
YXOXHAUUTIOBDA-UHFFFAOYSA-N- Molecular formula
- C18H18BrN3O2
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.05824
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-(3-Bromoanilino)-6,7-diethoxyquinazoline
- IUPAC
- N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine
- English name
- 4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline
- Molecular formula
- C18H18BrN3O2
- Molecular weight
- 388.26
Names & synonyms
RefChem:9121284-(3-bromoanilino)-6,7-diethoxyquinazoline4-BrBzN-6,7-diEtOQcompound 56171745-13-4N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazolineEGFR-IN-80CHEMBL35820compound 56 [PMID: 8568816]4-Quinazolinamine, N-(3-bromophenyl)-6,7-diethoxy-K00042
Show more names
N-(3-Bromophenyl)-6,7-diethoxy-4-quinazolinamine
C18H18BrN3O2BDBM3556GTPL5956orb2647431SCHEMBL3008965YXOXHAUUTIOBDA-UHFFFAOYSA-DTXSID40274389HMS3229C09
Database identifiers
- CAS
171745-13-4- PubChem CID
- 2857
- DTXSID
DTXSID40274389- ChEMBL
CHEMBL35820- Nikkaji
- J715.817C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
LogP4.4
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 O; · insoluble in H2O; ≥16.95 mg/mL in DMSO; ≥47.6 mg/mL in EtOH with ultrasonic
- form
- White to off-white powder.
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
Chemistry & industry
Applications
UsesCompound 56 is a potent and specific inhibitor of the tyrosine kinase activity of the epidermal growth factor.
Suppliers14 total
Aladdin Scientific[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
ApexBio Technology LLC+1-832-696-8203 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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