1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one

C18H19N4O2+ — CID 3491852

IUPAC1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one
SMILESO=C1/C(=N/c2cccnc2)c2ccccc2N1C[NH+]1CCOCC1
InChIInChI=1S/C18H18N4O2/c23-18-17(20-14-4-3-7-19-12-14)15-5-1-2-6-16(15)22(18)13-21-8-10-24-11-9-21/h1-7,12H,8-11,13H2/p+1/b20-17+
InChIKeyHHZWQVXOJUKEEV-LVZFUZTISA-O
MW323.38 g/mol
LogP0.42
Rot. Bonds3

About 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one

1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one (PubChem CID 3491852) has the molecular formula C18H19N4O2+ and a molecular weight of 323.38 g/mol. Its IUPAC name is 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one.

Molecular Properties

Compound Name1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one
PubChem CID3491852
Molecular FormulaC18H19N4O2+
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one
SMILESO=C1/C(=N/c2cccnc2)c2ccccc2N1C[NH+]1CCOCC1
InChIInChI=1S/C18H18N4O2/c23-18-17(20-14-4-3-7-19-12-14)15-5-1-2-6-16(15)22(18)13-21-8-10-24-11-9-21/h1-7,12H,8-11,13H2/p+1/b20-17+
InChIKeyHHZWQVXOJUKEEV-LVZFUZTISA-O
XLogP0.42
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(morpholin-4-ium-4-ylmethyl)isoindole-1,3-dione
CID 3462694
3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 3264306
1-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-naphthalen-2-yliminoindol-2-one
CID 7272314
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
1-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-3-(3,4-dimethylphenyl)iminoindol-2-one
CID 4174637
3-(4-methylphenyl)imino-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]indol-2-one
CID 7479750
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
1-[[4-[(2,3-dioxoindol-1-yl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione
CID 7024887
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 1254994
1-methyl-3-phenyliminoindol-2-one
CID 11218587
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 10452413
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one
CID 1018072

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one?
The IUPAC name of 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one (CID 3491852) is 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one.
What is the SMILES notation for 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one?
The canonical SMILES for 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one is O=C1/C(=N/c2cccnc2)c2ccccc2N1C[NH+]1CCOCC1.
What is the InChIKey of 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one?
The InChIKey is HHZWQVXOJUKEEV-LVZFUZTISA-O. The full InChI is InChI=1S/C18H18N4O2/c23-18-17(20-14-4-3-7-19-12-14)15-5-1-2-6-16(15)22(18)13-21-8-10-24-11-9-21/h1-7,12H,8-11,13H2/p+1/b20-17+.
What are the key properties of 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one?
1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one has a molecular weight of 323.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ium-4-ylmethyl)-3-pyridin-3-yliminoindol-2-one is sourced from PubChem (CID 3491852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).