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1-[(2-Methoxyquinolin-3-yl)aminocarbonyl]-4-(3-isopropoxyphenyl)piperazine

HCID 19356972
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1nc2ccccc2cc1NC(=O)N1CCN(c2cccc(OC(C)C)c2)CC1
InChIKey
WFYZUYLTOWMZGJ-UHFFFAOYSA-N
Molecular formula
C24H28N4O3
Average molar mass
420.5 g/mol
Monoisotopic mass
420.21614077

Names & identifiers

Preferred name
1-[(2-Methoxyquinolin-3-yl)aminocarbonyl]-4-(3-isopropoxyphenyl)piperazine
IUPAC
N-(2-methoxyquinolin-3-yl)-4-(3-propan-2-yloxyphenyl)piperazine-1-carboxamide

Names & synonyms

SCHEMBL6966994WFYZUYLTOWMZGJ-UHFFFAOYSA-N1-[(2-Methoxyquinolin-3-yl)aminocarbonyl]-4-(3-isopropoxyphenyl)piperazine

Database identifiers

PubChem CID
19356972

Properties

Computed structural propertiesFilling in

XLogP
4
Topological polar surface area
66.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Formal charge
0
Complexity
581

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Related reactions

2 records
New reaction record
HRID 204113 reaction equation
HRID 204113As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 377878 reaction equation
HRID 377878As productuspto-grants-2000_02

Compound notes

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