3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one

C24H28N4O3 — CID 91110421

IUPAC3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
SMILESO=C1C(=CN(c2ccccc2)N2CCOCC2)c2ccccc2N1CN1CCOCC1
InChIInChI=1S/C24H28N4O3/c29-24-22(18-28(20-6-2-1-3-7-20)26-12-16-31-17-13-26)21-8-4-5-9-23(21)27(24)19-25-10-14-30-15-11-25/h1-9,18H,10-17,19H2
InChIKeyMOOHLPQZLUYUSD-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.42
Rot. Bonds5

About 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one

3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 91110421) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID91110421
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
SMILESO=C1C(=CN(c2ccccc2)N2CCOCC2)c2ccccc2N1CN1CCOCC1
InChIInChI=1S/C24H28N4O3/c29-24-22(18-28(20-6-2-1-3-7-20)26-12-16-31-17-13-26)21-8-4-5-9-23(21)27(24)19-25-10-14-30-15-11-25/h1-9,18H,10-17,19H2
InChIKeyMOOHLPQZLUYUSD-UHFFFAOYSA-N
XLogP2.42
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one (CID 91110421) is 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one is O=C1C(=CN(c2ccccc2)N2CCOCC2)c2ccccc2N1CN1CCOCC1.
What is the InChIKey of 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is MOOHLPQZLUYUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-24-22(18-28(20-6-2-1-3-7-20)26-12-16-31-17-13-26)21-8-4-5-9-23(21)27(24)19-25-10-14-30-15-11-25/h1-9,18H,10-17,19H2.
What are the key properties of 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 420.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 91110421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).