(1-Benzyl-1H-indazol-5-yl)-(6-bromoquinazolin-4-yl)amine (HCID 21951963)

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Basic information

Standard SMILES: Brc1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1
InChIKey: FOZDJUHVXCDQEL-UHFFFAOYSA-N
Molecular formula: C22H16BrN5
Average molar mass: 430.3 g/mol

Names & identifiers

Preferred name: (1-Benzyl-1H-indazol-5-yl)-(6-bromoquinazolin-4-yl)amine
IUPAC: N-(1-benzylindazol-5-yl)-6-bromoquinazolin-4-amine

Names & synonyms

SCHEMBL3323462FOZDJUHVXCDQEL-UHFFFAOYSA-N(1-Benzyl-1H-indazol-5-yl)-(6-bromoquinazolin-4-yl)amine(1-Benzyl-1H-indazol-5-yl)-(6-bromoquinazolin-4-yl)-amine

Database identifiers

PubChem CID: 21951963

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 513

Related reactions

18 records

New reaction record

HRID 51128As productuspto-grants-2004_03

HRID 51130As reactantuspto-grants-2004_03

HRID 935514As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1403765As productuspto-grants-2014_12

HRID 1403767As reactantuspto-grants-2014_12

HRID 1497612As productuspto-grants-2015_12

HRID 1497614As reactantuspto-grants-2015_12

HRID 1553131As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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