(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one

C24H24N4O2 — CID 143304674

IUPAC(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
SMILESCN1CCN(C(=O)Cn2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)CC1
InChIInChI=1S/C24H24N4O2/c1-26-10-12-27(13-11-26)23(29)16-28-15-17(18-6-3-5-9-22(18)28)14-20-19-7-2-4-8-21(19)25-24(20)30/h2-9,14-15H,10-13,16H2,1H3,(H,25,30)/b20-14-
InChIKeyFBQLOHLPBVCWIS-ZHZULCJRSA-N
MW400.48 g/mol
LogP2.91
Rot. Bonds3

About (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one

(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one (PubChem CID 143304674) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
PubChem CID143304674
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
SMILESCN1CCN(C(=O)Cn2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)CC1
InChIInChI=1S/C24H24N4O2/c1-26-10-12-27(13-11-26)23(29)16-28-15-17(18-6-3-5-9-22(18)28)14-20-19-7-2-4-8-21(19)25-24(20)30/h2-9,14-15H,10-13,16H2,1H3,(H,25,30)/b20-14-
InChIKeyFBQLOHLPBVCWIS-ZHZULCJRSA-N
XLogP2.91
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one with MolForge

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Related Compounds

3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 3419928
6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 3648769
(3E)-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374195
(3E)-3-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374196
3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 3958106
2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(4-phenylbutyl)acetamide
CID 73159721
2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(3-phenylpropyl)acetamide
CID 11977997
2-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(4-phenylbutyl)acetamide
CID 143304651
N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide
CID 73159722
10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
CID 155810643
(5Z)-5-[[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126142654
(3E)-3-[[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 6106896

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one (CID 143304674) is (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one is CN1CCN(C(=O)Cn2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)CC1.
What is the InChIKey of (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one?
The InChIKey is FBQLOHLPBVCWIS-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-26-10-12-27(13-11-26)23(29)16-28-15-17(18-6-3-5-9-22(18)28)14-20-19-7-2-4-8-21(19)25-24(20)30/h2-9,14-15H,10-13,16H2,1H3,(H,25,30)/b20-14-.
What are the key properties of (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one?
(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one has a molecular weight of 400.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 143304674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).