4-[7-(2-Piperidin-2-yl-ethoxy)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-morpholin-4-yl-phenyl)-amide

HCID 58770633

Notes Reactions

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Basic information

Standard SMILES: O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ncnc3cc(OCCC4CCCCN4)ccc23)CC1
InChIKey: MTRSZIIKBXORSO-UHFFFAOYSA-N
Molecular formula: C31H40N6O3
Average molar mass: 544.7 g/mol

Names & identifiers

Preferred name: 4-[7-(2-Piperidin-2-yl-ethoxy)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-morpholin-4-yl-phenyl)-amide
IUPAC: N-(4-morpholin-4-ylphenyl)-4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxamide

Names & synonyms

SCHEMBL12049153MTRSZIIKBXORSO-UHFFFAOYSA-N4-[7-(2-Piperidin-2-yl-ethoxy)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-morpholin-4-yl-phenyl)-amide

Database identifiers

PubChem CID: 58770633

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 91.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 40
Formal charge: 0
Complexity: 781

Related reactions

2 records

New reaction record

HRID 657255As productuspto-grants-2011_12

HRID 955144As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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