1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione

C30H22N2O3 — CID 102109683

IUPAC1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione
SMILESO=C1CCCC2=C1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C30H22N2O3/c33-24-16-8-14-22-25(24)30(26-27(31-22)19-11-4-5-12-20(19)28(26)34)21-13-6-7-15-23(21)32(29(30)35)17-18-9-2-1-3-10-18/h1-7,9-13,15,31H,8,14,16-17H2
InChIKeyVKSBTWVGRPCQKX-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.69
Rot. Bonds2

About 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione

1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione (PubChem CID 102109683) has the molecular formula C30H22N2O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione.

Molecular Properties

Compound Name1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione
PubChem CID102109683
Molecular FormulaC30H22N2O3
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC Name1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione
SMILESO=C1CCCC2=C1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C30H22N2O3/c33-24-16-8-14-22-25(24)30(26-27(31-22)19-11-4-5-12-20(19)28(26)34)21-13-6-7-15-23(21)32(29(30)35)17-18-9-2-1-3-10-18/h1-7,9-13,15,31H,8,14,16-17H2
InChIKeyVKSBTWVGRPCQKX-UHFFFAOYSA-N
XLogP4.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-benzyl-3-methylspiro[6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-4,3'-indole]-2',5-dione
CID 137136241
1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
CID 102235008
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
1-benzyl-3,3-bis(4-hydroxy-3-methylphenyl)indol-2-one
CID 2802496
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
1,3-dibenzyl-3-hydroxyquinoline-2,4-dione
CID 11428277
1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714506
1''-benzyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 3758975
CID 102218446
CID 102218446
1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 3746451
7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one
CID 138979063
2-amino-1'-(3-methylbutyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
CID 23475399

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione?
The IUPAC name of 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione (CID 102109683) is 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione.
What is the SMILES notation for 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione?
The canonical SMILES for 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione is O=C1CCCC2=C1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione?
The InChIKey is VKSBTWVGRPCQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3/c33-24-16-8-14-22-25(24)30(26-27(31-22)19-11-4-5-12-20(19)28(26)34)21-13-6-7-15-23(21)32(29(30)35)17-18-9-2-1-3-10-18/h1-7,9-13,15,31H,8,14,16-17H2.
What are the key properties of 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione?
1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione has a molecular weight of 458.52 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione is sourced from PubChem (CID 102109683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).