N-[4-(N-methyl-N-pyridin-4-yl-amino)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

HCID 11670720
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Basic information

Standard SMILES
CN(c1ccncc1)c1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIKey
UUMPKDCUQQIUFN-UHFFFAOYSA-N
Molecular formula
C29H26ClN5O2
Average molar mass
512 g/mol

Names & identifiers

Preferred name
N-[4-(N-methyl-N-pyridin-4-yl-amino)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
IUPAC
2-N-(4-chlorophenyl)-3-N-[4-[methyl(pyridin-4-yl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide

Names & synonyms

SCHEMBL13626517UUMPKDCUQQIUFN-UHFFFAOYSA-NN-[4-(N-methyl-N-pyridin-4-yl-amino)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Database identifiers

PubChem CID
11670720

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
77.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
37

Related reactions

1 records
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Compound notes

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