3-(4-Ethoxyphenyl)-2-[1-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]quinazolin-4-one

HCID 67201115

Notes Reactions

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Basic information

Standard SMILES: CCOc1ccc(-n2c(C(C)NCC3CCN(C(C)C)CC3)nc3ccccc3c2=O)cc1
InChIKey: NJCTVQVRNYDFBI-UHFFFAOYSA-N
Molecular formula: C27H36N4O2
Average molar mass: 448.6 g/mol

Names & identifiers

Preferred name: 3-(4-Ethoxyphenyl)-2-[1-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]quinazolin-4-one
IUPAC: 3-(4-ethoxyphenyl)-2-[1-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]quinazolin-4-one

Names & synonyms

SCHEMBL1888215

Database identifiers

PubChem CID: 67201115

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 57.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 665

Related reactions

1 records

New reaction record

HRID 169286 reaction equation

HRID 169286As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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3-(4-Ethoxyphenyl)-2-[1-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]quinazolin-4-one (HCID 67201115)｜Huagongshe