5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one

C21H22ClN3O3 — CID 44604649

IUPAC5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H22ClN3O3/c1-27-17-5-3-16(4-6-17)23-20-18-14-15(22)2-7-19(18)25(21(20)26)9-8-24-10-12-28-13-11-24/h2-7,14H,8-13H2,1H3/b23-20-
InChIKeyGTHYLUXDUILSMT-ATJXCDBQSA-N
MW399.88 g/mol
LogP3.15
Rot. Bonds5

About 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one

5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one (PubChem CID 44604649) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one
PubChem CID44604649
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H22ClN3O3/c1-27-17-5-3-16(4-6-17)23-20-18-14-15(22)2-7-19(18)25(21(20)26)9-8-24-10-12-28-13-11-24/h2-7,14H,8-13H2,1H3/b23-20-
InChIKeyGTHYLUXDUILSMT-ATJXCDBQSA-N
XLogP3.15
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)
CID 141477274
1-(azepan-1-ylmethyl)-5-bromo-3-(4-methoxyphenyl)iminoindol-2-one
CID 17370527
6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione
CID 61354619
3-chloro-4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110583194
5-bromo-3-(4-ethoxyphenyl)imino-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]indol-2-one
CID 4006529
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 1250579
3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254864
(4E,5S)-5-(2,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 98321069
(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 2367574
4-[(5-chloro-2-hydroxyphenyl)-hydroxymethylidene]-5-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 74253323
3-(3-bromo-4-methylphenyl)imino-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]indol-2-one
CID 5295540

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one?
The IUPAC name of 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one (CID 44604649) is 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one.
What is the SMILES notation for 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one?
The canonical SMILES for 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one is COc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccc(Cl)cc32)cc1.
What is the InChIKey of 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one?
The InChIKey is GTHYLUXDUILSMT-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-27-17-5-3-16(4-6-17)23-20-18-14-15(22)2-7-19(18)25(21(20)26)9-8-24-10-12-28-13-11-24/h2-7,14H,8-13H2,1H3/b23-20-.
What are the key properties of 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one?
5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one has a molecular weight of 399.88 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one is sourced from PubChem (CID 44604649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).