tert-butyl 5-(2-(3-(2-methoxy-2-oxoacetamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

HCID 59361968

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1
InChIKey: KIXWSRHVJQINDL-UHFFFAOYSA-N
Molecular formula: C29H26N6O5
Average molar mass: 538.6 g/mol

Names & identifiers

Preferred name: tert-butyl 5-(2-(3-(2-methoxy-2-oxoacetamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
IUPAC: tert-butyl 5-[[2-[3-[(2-methoxy-2-oxoacetyl)amino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate

Names & synonyms

SCHEMBL876808KIXWSRHVJQINDL-UHFFFAOYSA-Ntert-butyl 5-(2-(3-(2-methoxy-2-oxoacetamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

Database identifiers

PubChem CID: 59361968

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 137 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 40
Formal charge: 0
Complexity: 927

Related reactions

8 records

New reaction record

HRID 61544As productuspto-grants-2016_09

HRID 61545As reactantuspto-grants-2016_09

HRID 183537As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 184912As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1406895As productuspto-grants-2014_12

HRID 1406896As reactantuspto-grants-2014_12

HRID 1808406As productuspto-grants-2013_01

HRID 1808407As reactantuspto-grants-2013_01

Compound notes

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