5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one

C19H18ClN3O2 — CID 91223892

IUPAC5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18ClN3O2/c20-13-1-6-18-16(11-13)17(19(24)22-18)12-21-14-2-4-15(5-3-14)23-7-9-25-10-8-23/h1-6,11-12,17H,7-10H2,(H,22,24)/b21-12+
InChIKeyPBBIVQSIIYNNLR-CIAFOILYSA-N
MW355.83 g/mol
LogP3.61
Rot. Bonds3

About 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one

5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91223892) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91223892
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18ClN3O2/c20-13-1-6-18-16(11-13)17(19(24)22-18)12-21-14-2-4-15(5-3-14)23-7-9-25-10-8-23/h1-6,11-12,17H,7-10H2,(H,22,24)/b21-12+
InChIKeyPBBIVQSIIYNNLR-CIAFOILYSA-N
XLogP3.61
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453
5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91523176
5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91149648
5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 91132668
5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90705422
3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91543672
7-methyl-4-[(4-morpholin-4-ylphenyl)iminomethyl]-2,4-dihydro-1H-isoquinolin-3-one
CID 90798473
5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91275674
3-[[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90798818
5-acetyl-N-[4-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]thiophene-2-carboxamide
CID 90948884
5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 3301155
3-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91219716

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one (CID 91223892) is 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1/C=N/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is PBBIVQSIIYNNLR-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-13-1-6-18-16(11-13)17(19(24)22-18)12-21-14-2-4-15(5-3-14)23-7-9-25-10-8-23/h1-6,11-12,17H,7-10H2,(H,22,24)/b21-12+.
What are the key properties of 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 355.83 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91223892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).