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

C22H22N2O5 — CID 127052840

IUPAC(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H22N2O5/c1-27-20-13-15(12-17-16-4-2-3-5-18(16)23-22(17)26)6-7-19(20)29-14-21(25)24-8-10-28-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,23,26)/b17-12-
InChIKeyCDTMIWXOKBKMHJ-ATVHPVEESA-N
MW394.43 g/mol
LogP2.43
Rot. Bonds5

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

(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 127052840) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID127052840
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H22N2O5/c1-27-20-13-15(12-17-16-4-2-3-5-18(16)23-22(17)26)6-7-19(20)29-14-21(25)24-8-10-28-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,23,26)/b17-12-
InChIKeyCDTMIWXOKBKMHJ-ATVHPVEESA-N
XLogP2.43
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.43
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

(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
(3,4-Diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 776356
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
1-[2-(2-Methoxyphenoxy)propanoyl]indoline
CID 4943179
3,4-Dimethoxy-N-[4-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 1134573
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
CID 847892
1-(3-fluoro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10003368
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10409431
1-(4-Methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10410103
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
2-(benzo[d][1,3]dioxol-5-yl)-N-(3-(3-morpholinopropoxy)phenyl)acetamide
CID 25014612

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one (CID 127052840) is (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is CDTMIWXOKBKMHJ-ATVHPVEESA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-20-13-15(12-17-16-4-2-3-5-18(16)23-22(17)26)6-7-19(20)29-14-21(25)24-8-10-28-11-9-24/h2-7,12-13H,8-11,14H2,1H3,(H,23,26)/b17-12-.
What are the key properties of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one?
(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 394.43 g/mol, XLogP of 2.43, 5 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-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 127052840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).