(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one

C20H21N3O4 — CID 25218046

IUPAC(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C/c1[nH]cc(C(=O)N3CCOCC3)c1C)C(=O)N2
InChIInChI=1S/C20H21N3O4/c1-12-16(20(25)23-5-7-27-8-6-23)11-21-18(12)10-15-14-9-13(26-2)3-4-17(14)22-19(15)24/h3-4,9-11,21H,5-8H2,1-2H3,(H,22,24)/b15-10-
InChIKeyWDNVBJIUZDQGNR-GDNBJRDFSA-N
MW367.41 g/mol
LogP2.30
Rot. Bonds3

About (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one

(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one (PubChem CID 25218046) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
PubChem CID25218046
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C/c1[nH]cc(C(=O)N3CCOCC3)c1C)C(=O)N2
InChIInChI=1S/C20H21N3O4/c1-12-16(20(25)23-5-7-27-8-6-23)11-21-18(12)10-15-14-9-13(26-2)3-4-17(14)22-19(15)24/h3-4,9-11,21H,5-8H2,1-2H3,(H,22,24)/b15-10-
InChIKeyWDNVBJIUZDQGNR-GDNBJRDFSA-N
XLogP2.30
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one with MolForge

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Related Compounds

(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one
CID 113196375
2-[3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid
CID 24942668
(3Z)-3-[[3,5-dimethoxy-4-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-methyl-1H-indol-2-one
CID 118487065
2-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 66606630
3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-carboxamide
CID 123771401
3-[3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 72637563
3-[[3-(2-hydroxyethyl)-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-1H-indol-2-one
CID 85071387
4-benzoyl-5-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
CID 69054134
(3Z)-3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 89027682
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 118714393
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide
CID 91114566

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one (CID 25218046) is (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one is COc1ccc2c(c1)/C(=C/c1[nH]cc(C(=O)N3CCOCC3)c1C)C(=O)N2.
What is the InChIKey of (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is WDNVBJIUZDQGNR-GDNBJRDFSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-16(20(25)23-5-7-27-8-6-23)11-21-18(12)10-15-14-9-13(26-2)3-4-17(14)22-19(15)24/h3-4,9-11,21H,5-8H2,1-2H3,(H,22,24)/b15-10-.
What are the key properties of (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one?
(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 367.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 25218046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).