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

C25H25N3O2 — CID 44604653

IUPAC5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one
SMILESCc1ccc2c(c1)/C(=N/c1cccc3ccccc13)C(=O)N2CCN1CCOCC1
InChIInChI=1S/C25H25N3O2/c1-18-9-10-23-21(17-18)24(25(29)28(23)12-11-27-13-15-30-16-14-27)26-22-8-4-6-19-5-2-3-7-20(19)22/h2-10,17H,11-16H2,1H3/b26-24-
InChIKeyYKAFFKNWQPNOAJ-LCUIJRPUSA-N
MW399.49 g/mol
LogP3.95
Rot. Bonds4

About 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one

5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one (PubChem CID 44604653) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one.

Molecular Properties

Compound Name5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one
PubChem CID44604653
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one
SMILESCc1ccc2c(c1)/C(=N/c1cccc3ccccc13)C(=O)N2CCN1CCOCC1
InChIInChI=1S/C25H25N3O2/c1-18-9-10-23-21(17-18)24(25(29)28(23)12-11-27-13-15-30-16-14-27)26-22-8-4-6-19-5-2-3-7-20(19)22/h2-10,17H,11-16H2,1H3/b26-24-
InChIKeyYKAFFKNWQPNOAJ-LCUIJRPUSA-N
XLogP3.95
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.95
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 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one?
The IUPAC name of 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one (CID 44604653) is 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one.
What is the SMILES notation for 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one?
The canonical SMILES for 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one is Cc1ccc2c(c1)/C(=N/c1cccc3ccccc13)C(=O)N2CCN1CCOCC1.
What is the InChIKey of 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one?
The InChIKey is YKAFFKNWQPNOAJ-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-9-10-23-21(17-18)24(25(29)28(23)12-11-27-13-15-30-16-14-27)26-22-8-4-6-19-5-2-3-7-20(19)22/h2-10,17H,11-16H2,1H3/b26-24-.
What are the key properties of 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one?
5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one has a molecular weight of 399.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-yliminoindol-2-one is sourced from PubChem (CID 44604653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).