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

C19H19N3O2 — CID 90901453

IUPAC3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O2/c23-19-17(16-3-1-2-4-18(16)21-19)13-20-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8,13,17H,9-12H2,(H,21,23)/b20-13+
InChIKeyBTLVVXQENCPJHS-DEDYPNTBSA-N
MW321.38 g/mol
LogP2.96
Rot. Bonds3

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

3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90901453) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90901453
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O2/c23-19-17(16-3-1-2-4-18(16)21-19)13-20-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8,13,17H,9-12H2,(H,21,23)/b20-13+
InChIKeyBTLVVXQENCPJHS-DEDYPNTBSA-N
XLogP2.96
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one (CID 90901453) is 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1/C=N/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is BTLVVXQENCPJHS-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19-17(16-3-1-2-4-18(16)21-19)13-20-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8,13,17H,9-12H2,(H,21,23)/b20-13+.
What are the key properties of 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90901453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).