N-(3-chloro-2-fluorophenyl)-7-methoxy-6-({1-[(5-methylisoxazol-4-yl)carbonyl]piperidin-4-yl}oxy)quinazolin-4-amine

HCID 11249247

Notes Reactions

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Basic information

Standard SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C(=O)c2cnoc2C)CC1
InChIKey: YAGPXZCRMOCRLK-UHFFFAOYSA-N
Molecular formula: C25H23ClFN5O4
Average molar mass: 511.9 g/mol
Monoisotopic mass: 511.1422601

Names & identifiers

Preferred name: N-(3-chloro-2-fluorophenyl)-7-methoxy-6-({1-[(5-methylisoxazol-4-yl)carbonyl]piperidin-4-yl}oxy)quinazolin-4-amine
IUPAC: [4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

Names & synonyms

SCHEMBL2460232YAGPXZCRMOCRLK-UHFFFAOYSA-NN-(3-chloro-2-fluorophenyl)-7-methoxy-6-({1-[(5-methylisoxazol-4-yl)carbonyl]piperidin-4-yl}oxy)quinazolin-4-amine

Database identifiers

PubChem CID: 11249247

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 103 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 6
Heavy atoms: 36
Formal charge: 0
Complexity: 747

Related reactions

2 records

New reaction record

HRID 1149008As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1175067As productuspto-grants-2010_11

Compound notes

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