HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

1,7',7'-trimethyl-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 5300526
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
889953-04-2
Standard SMILES
CN1C(=O)C2(C(C#N)=C(n3cccc3)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21
InChIKey
HTJRKBUYXPPRME-UHFFFAOYSA-N
Molecular formula
C30H26N4O2
Average molar mass
474.6 g/mol
Monoisotopic mass
474.20557608

Names & identifiers

Preferred name
1,7',7'-trimethyl-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
1',7,7-trimethyl-2',5-dioxo-1-phenyl-2-pyrrol-1-ylspiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile

Names & synonyms

889953-04-21,7',7'-trimethyl-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-1,7',7'-trimethyl-2,5'-dioxo-1'-phenyl-2'-(1H-pyrrol-1-yl)spiro[3H-indole-3,4'(1'H)-quinoline]-3'-carbonitrileDTXSID101101614STK783052AKOS001726651AKOS0220194271',7,7-trimethyl-2',5-dioxo-1-phenyl-2-pyrrol-1-ylspiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile1,2,5a(2),6a(2),7a(2),8a(2)-Hexahydro-1,7a(2),7a(2)-trimethyl-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
889953-04-2
PubChem CID
5300526
DTXSID
DTXSID101101614

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
69.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
36
Formal charge
0
Complexity
1,080

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes