4-(1,2,3,4-Tetrahydroquinolin-1-yl)-6-(4-nitro-phenyl)-7H-pyrrolo[2,3-d]-pyrimidine

HCID 23282467
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(-c2cc3c(N4CCCc5ccccc54)ncnc3[nH]2)cc1
InChIKey
HYVQEEGUFHDEHQ-UHFFFAOYSA-N
Molecular formula
C21H17N5O2
Average molar mass
371.4 g/mol

Names & identifiers

Preferred name
4-(1,2,3,4-Tetrahydroquinolin-1-yl)-6-(4-nitro-phenyl)-7H-pyrrolo[2,3-d]-pyrimidine
IUPAC
1-[6-(4-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

Names & synonyms

SCHEMBL7495627HYVQEEGUFHDEHQ-UHFFFAOYSA-N4-(1,2,3,4-Tetrahydroquinolin-1-yl)-6-(4-nitro-phenyl)-7H-pyrrolo[2,3-d]-pyrimidine

Database identifiers

PubChem CID
23282467

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
90.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
28

Related reactions

2 records
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Linked notes

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