11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one

C38H31N3O — CID 165178126

IUPAC11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(Nc4cc(C)ccc4-c4c3c3ccccc3n4Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C38H31N3O/c1-25-16-19-28(20-17-25)24-41-34-15-9-7-13-31(34)38(37(41)42)35-30-12-6-8-14-33(30)40(23-27-10-4-3-5-11-27)36(35)29-21-18-26(2)22-32(29)39-38/h3-22,39H,23-24H2,1-2H3
InChIKeyXOZVVJOTNJAHFC-UHFFFAOYSA-N
MW545.69 g/mol
LogP8.19
Rot. Bonds4

About 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one

11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one (PubChem CID 165178126) has the molecular formula C38H31N3O and a molecular weight of 545.69 g/mol. Its IUPAC name is 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one.

Molecular Properties

Compound Name11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one
PubChem CID165178126
Molecular FormulaC38H31N3O
Molecular Weight545.69 g/mol
Exact Mass545.25
IUPAC Name11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(Nc4cc(C)ccc4-c4c3c3ccccc3n4Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C38H31N3O/c1-25-16-19-28(20-17-25)24-41-34-15-9-7-13-31(34)38(37(41)42)35-30-12-6-8-14-33(30)40(23-27-10-4-3-5-11-27)36(35)29-21-18-26(2)22-32(29)39-38/h3-22,39H,23-24H2,1-2H3
InChIKeyXOZVVJOTNJAHFC-UHFFFAOYSA-N
XLogP8.19
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one with MolForge

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Related Compounds

3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
CID 132544016
CID 132544016
3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3759443
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
3-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 83969302
1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868830
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 90322900
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281362

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one?
The IUPAC name of 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one (CID 165178126) is 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one.
What is the SMILES notation for 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one?
The canonical SMILES for 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one is Cc1ccc(CN2C(=O)C3(Nc4cc(C)ccc4-c4c3c3ccccc3n4Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one?
The InChIKey is XOZVVJOTNJAHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N3O/c1-25-16-19-28(20-17-25)24-41-34-15-9-7-13-31(34)38(37(41)42)35-30-12-6-8-14-33(30)40(23-27-10-4-3-5-11-27)36(35)29-21-18-26(2)22-32(29)39-38/h3-22,39H,23-24H2,1-2H3.
What are the key properties of 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one?
11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one has a molecular weight of 545.69 g/mol, XLogP of 8.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one is sourced from PubChem (CID 165178126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).