4-[7-(2-Morpholin-4-yl-2-oxo-ethoxy)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-pyrrolidin-1-yl-phenyl)-amide

HCID 58770710

Notes Reactions

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Basic information

Standard SMILES: O=C(COc1ccc2c(C3CCN(C(=O)Nc4ccc(N5CCCC5)cc4)CC3)ncnc2c1)N1CCOCC1
InChIKey: JOYXBZIBTOQRHV-UHFFFAOYSA-N
Molecular formula: C30H36N6O4
Average molar mass: 544.6 g/mol
Monoisotopic mass: 544.27980365

Names & identifiers

Preferred name: 4-[7-(2-Morpholin-4-yl-2-oxo-ethoxy)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-pyrrolidin-1-yl-phenyl)-amide
IUPAC: 4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide

Names & synonyms

SCHEMBL12049346JOYXBZIBTOQRHV-UHFFFAOYSA-N4-[7-(2-Morpholin-4-yl-2-oxo-ethoxy)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-pyrrolidin-1-yl-phenyl)-amide

Database identifiers

PubChem CID: 58770710

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 40
Formal charge: 0
Complexity: 834

Related reactions

2 records

New reaction record

HRID 657274As productuspto-grants-2011_12

HRID 2135744As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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