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6-(3-Bromopropoxy)-4-(4-fluoro-2-methylindol-5-yloxy)-7-methoxyquinazoline

HCID 58960250
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Basic information

Standard SMILES
COc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OCCCBr
InChIKey
GGLJFQKQZOPBDP-UHFFFAOYSA-N
Molecular formula
C21H19BrFN3O3
Average molar mass
460.3 g/mol

Names & identifiers

Preferred name
6-(3-Bromopropoxy)-4-(4-fluoro-2-methylindol-5-yloxy)-7-methoxyquinazoline
IUPAC
6-(3-bromopropoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-methoxyquinazoline

Names & synonyms

SCHEMBL1401711GGLJFQKQZOPBDP-UHFFFAOYSA-N6-(3-bromopropoxy)-4-(4-fluoro-2-methylindol-5-yloxy)-7-methoxyquinazoline

Database identifiers

PubChem CID
58960250

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
69.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
533

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Related reactions

6 records
New reaction record
HRID 916409 reaction equation
HRID 916409As reactantuspto-grants-2007_09
HRID 916410 reaction equation
HRID 916410As productuspto-grants-2007_09
HRID 1211463 reaction equation
HRID 1211463As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2068053 reaction equation
HRID 2068053As reactantuspto-grants-2012_10
HRID 2068054 reaction equation
HRID 2068054As productuspto-grants-2012_10
HRID 2313225 reaction equation
HRID 2313225As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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