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

C24H29N3O3 — CID 155534163

IUPAC(3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCCN1CCN(C)CC1
InChIInChI=1S/C24H29N3O3/c1-26-11-13-27(14-12-26)10-5-15-30-22-9-8-18(17-23(22)29-2)16-20-19-6-3-4-7-21(19)25-24(20)28/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,25,28)/b20-16-
InChIKeyPNFWBZCKLAHHSO-SILNSSARSA-N
MW407.51 g/mol
LogP3.20
Rot. Bonds7

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

(3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one (PubChem CID 155534163) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one
PubChem CID155534163
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCCN1CCN(C)CC1
InChIInChI=1S/C24H29N3O3/c1-26-11-13-27(14-12-26)10-5-15-30-22-9-8-18(17-23(22)29-2)16-20-19-6-3-4-7-21(19)25-24(20)28/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,25,28)/b20-16-
InChIKeyPNFWBZCKLAHHSO-SILNSSARSA-N
XLogP3.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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

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Related Compounds

3',4'-Dihydro-6',7'-dimethoxyspiro(3H-indole-3,1'(2H)-isoquinolin)-2(1H)-one
CID 2999560
6-(3-(4-(Naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068905
6-(3-(4-(Isochroman-8-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068962
6-(3-(4-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068963
6-(3-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068964
6-(4-(4-(Isochroman-8-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 25069074
6-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 25069121
6-(4-(4-(1,3-Dihydroisobenzofuran-4-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 25069122
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
3-(2,3-dihydro-1H-indol-1-yl)-4-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539522
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5,6-dimethoxy-3-methyl-1H-indene-2-carboxamide
CID 137658819
(3,4-Diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 776356

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one (CID 155534163) is (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCCN1CCN(C)CC1.
What is the InChIKey of (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is PNFWBZCKLAHHSO-SILNSSARSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26-11-13-27(14-12-26)10-5-15-30-22-9-8-18(17-23(22)29-2)16-20-19-6-3-4-7-21(19)25-24(20)28/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,25,28)/b20-16-.
What are the key properties of (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one?
(3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 155534163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).