1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione

C28H24N2O2 — CID 102235008

IUPAC1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
SMILESCc1ccc2c(c1)C1(C(=O)N(Cc3ccccc3)c3ccc(C)cc31)C1=C(CCC1=O)N2
InChIInChI=1S/C28H24N2O2/c1-17-8-10-22-20(14-17)28(26-23(29-22)11-13-25(26)31)21-15-18(2)9-12-24(21)30(27(28)32)16-19-6-4-3-5-7-19/h3-10,12,14-15,29H,11,13,16H2,1-2H3
InChIKeyIVKQLJDHXZVQPD-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.18
Rot. Bonds2

About 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione

1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione (PubChem CID 102235008) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione.

Molecular Properties

Compound Name1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
PubChem CID102235008
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
SMILESCc1ccc2c(c1)C1(C(=O)N(Cc3ccccc3)c3ccc(C)cc31)C1=C(CCC1=O)N2
InChIInChI=1S/C28H24N2O2/c1-17-8-10-22-20(14-17)28(26-23(29-22)11-13-25(26)31)21-15-18(2)9-12-24(21)30(27(28)32)16-19-6-4-3-5-7-19/h3-10,12,14-15,29H,11,13,16H2,1-2H3
InChIKeyIVKQLJDHXZVQPD-UHFFFAOYSA-N
XLogP5.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione with MolForge

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Related Compounds

3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
CID 132544474
1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
CID 132544480
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-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
CID 122213350
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
1'-benzylspiro[5,6,7,8-tetrahydroindeno[1,2-b]quinoline-10,3'-indole]-2',9,11-trione
CID 102109683
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
CID 132544016
CID 132544016
(2R)-1'-benzyl-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180538

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione?
The IUPAC name of 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione (CID 102235008) is 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione.
What is the SMILES notation for 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione?
The canonical SMILES for 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione is Cc1ccc2c(c1)C1(C(=O)N(Cc3ccccc3)c3ccc(C)cc31)C1=C(CCC1=O)N2.
What is the InChIKey of 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione?
The InChIKey is IVKQLJDHXZVQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-17-8-10-22-20(14-17)28(26-23(29-22)11-13-25(26)31)21-15-18(2)9-12-24(21)30(27(28)32)16-19-6-4-3-5-7-19/h3-10,12,14-15,29H,11,13,16H2,1-2H3.
What are the key properties of 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione?
1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione has a molecular weight of 420.51 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione is sourced from PubChem (CID 102235008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).