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

C22H25ClN4O2 — CID 91523176

IUPAC5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1/C=N/c1ccc(NCCCN2CCOCC2)cc1
InChIInChI=1S/C22H25ClN4O2/c23-16-2-7-21-19(14-16)20(22(28)26-21)15-25-18-5-3-17(4-6-18)24-8-1-9-27-10-12-29-13-11-27/h2-7,14-15,20,24H,1,8-13H2,(H,26,28)/b25-15+
InChIKeyPGJPXWSWPSNTTL-MFKUBSTISA-N
MW412.92 g/mol
LogP3.91
Rot. Bonds7

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

5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91523176) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91523176
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1/C=N/c1ccc(NCCCN2CCOCC2)cc1
InChIInChI=1S/C22H25ClN4O2/c23-16-2-7-21-19(14-16)20(22(28)26-21)15-25-18-5-3-17(4-6-18)24-8-1-9-27-10-12-29-13-11-27/h2-7,14-15,20,24H,1,8-13H2,(H,26,28)/b25-15+
InChIKeyPGJPXWSWPSNTTL-MFKUBSTISA-N
XLogP3.91
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91523176) is 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1/C=N/c1ccc(NCCCN2CCOCC2)cc1.
What is the InChIKey of 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is PGJPXWSWPSNTTL-MFKUBSTISA-N. The full InChI is InChI=1S/C22H25ClN4O2/c23-16-2-7-21-19(14-16)20(22(28)26-21)15-25-18-5-3-17(4-6-18)24-8-1-9-27-10-12-29-13-11-27/h2-7,14-15,20,24H,1,8-13H2,(H,26,28)/b25-15+.
What are the key properties of 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 412.92 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91523176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).