1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one

C24H23N3O2 — CID 44604651

IUPAC1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one
SMILESO=C1/C(=N\c2cccc3ccccc23)c2ccccc2N1CCN1CCOCC1
InChIInChI=1S/C24H23N3O2/c28-24-23(25-21-10-5-7-18-6-1-2-8-19(18)21)20-9-3-4-11-22(20)27(24)13-12-26-14-16-29-17-15-26/h1-11H,12-17H2/b25-23-
InChIKeyBNFLXKDOOOJRIK-BZZOAKBMSA-N
MW385.47 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one

1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one (PubChem CID 44604651) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one
PubChem CID44604651
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one
SMILESO=C1/C(=N\c2cccc3ccccc23)c2ccccc2N1CCN1CCOCC1
InChIInChI=1S/C24H23N3O2/c28-24-23(25-21-10-5-7-18-6-1-2-8-19(18)21)20-9-3-4-11-22(20)27(24)13-12-26-14-16-29-17-15-26/h1-11H,12-17H2/b25-23-
InChIKeyBNFLXKDOOOJRIK-BZZOAKBMSA-N
XLogP3.64
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one (CID 44604651) is 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one is O=C1/C(=N\c2cccc3ccccc23)c2ccccc2N1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one?
The InChIKey is BNFLXKDOOOJRIK-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-24-23(25-21-10-5-7-18-6-1-2-8-19(18)21)20-9-3-4-11-22(20)27(24)13-12-26-14-16-29-17-15-26/h1-11H,12-17H2/b25-23-.
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one?
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one is sourced from PubChem (CID 44604651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).