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7',7'-dimethyl-2,5'-dioxo-1'-phenyl-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

HCID 5300525
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Basic information

CAS
889952-99-2
Standard SMILES
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(n1cccc1)=C(C#N)C21C(=O)Nc2ccccc21
InChIKey
BLETWQRUKCGQJS-UHFFFAOYSA-N
Molecular formula
C29H24N4O2
Average molar mass
460.5 g/mol
Monoisotopic mass
460.18992602

Names & identifiers

Preferred name
7',7'-dimethyl-2,5'-dioxo-1'-phenyl-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
IUPAC
7',7'-dimethyl-2,5'-dioxo-1'-phenyl-2'-pyrrol-1-ylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile

Names & synonyms

889952-99-27',7'-dimethyl-2,5'-dioxo-1'-phenyl-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile1,2,5',6',7',8'-Hexahydro-7',7'-dimethyl-2,5'-dioxo-1'-phenyl-2'-(1H-pyrrol-1-yl)spiro[3H-indole-3,4'(1'H)-quinoline]-3'-carbonitrileDTXSID301102125STK783051AKOS001726556AKOS0220194267',7'-dimethyl-2,5'-dioxo-1'-phenyl-2'-pyrrol-1-ylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile1,2,5a(2),6a(2),7a(2),8a(2)-Hexahydro-7a(2),7a(2)-dimethyl-2,5a(2)-dioxo-1a(2)-phenyl-2a(2)-(1H-pyrrol-1-yl)spiro[3H-indole-3,4a(2)(1a(2)H)-quinoline]-3a(2)-carbonitrile

Database identifiers

CAS
889952-99-2
PubChem CID
5300525
DTXSID
DTXSID301102125

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
78.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
35
Formal charge
0
Complexity
1,050

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