(3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one

C23H26N2O4 — CID 155530976

IUPAC(3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H26N2O4/c1-16-3-5-20-18(13-16)19(23(26)24-20)14-17-4-6-21(22(15-17)27-2)29-12-9-25-7-10-28-11-8-25/h3-6,13-15H,7-12H2,1-2H3,(H,24,26)/b19-14-
InChIKeyLQGTZROXOSGDKH-RGEXLXHISA-N
MW394.47 g/mol
LogP3.21
Rot. Bonds6

About (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one

(3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one (PubChem CID 155530976) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one
PubChem CID155530976
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H26N2O4/c1-16-3-5-20-18(13-16)19(23(26)24-20)14-17-4-6-21(22(15-17)27-2)29-12-9-25-7-10-28-11-8-25/h3-6,13-15H,7-12H2,1-2H3,(H,24,26)/b19-14-
InChIKeyLQGTZROXOSGDKH-RGEXLXHISA-N
XLogP3.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,4-Diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 776356
5-Methyl-1-[2-(4-methylphenoxy)ethyl]indole-2,3-dione
CID 2145489
N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxybenzamide
CID 4459139
1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methyl-1H-indole-2,3-dione
CID 17582328
3,4-Dimethoxy-N-[4-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 1134573
N-(furan-2-ylmethyl)-3,4-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 667379
1-(3-fluorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10454231
1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10477339
1-(3-Hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
CID 123183788
5-[2-[2-[5-Ethyl-2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123311113
5-[2-[2-(4-Ethyl-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123576734
5-(4-Methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione
CID 141372271

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one (CID 155530976) is (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCCN1CCOCC1.
What is the InChIKey of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one?
The InChIKey is LQGTZROXOSGDKH-RGEXLXHISA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-3-5-20-18(13-16)19(23(26)24-20)14-17-4-6-21(22(15-17)27-2)29-12-9-25-7-10-28-11-8-25/h3-6,13-15H,7-12H2,1-2H3,(H,24,26)/b19-14-.
What are the key properties of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one?
(3Z)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one has a molecular weight of 394.47 g/mol, XLogP of 3.21, 6 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-(2-morpholin-4-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one is sourced from PubChem (CID 155530976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).