3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one

C21H23N3O2 — CID 3556162

IUPAC3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1C
InChIInChI=1S/C21H23N3O2/c1-15-7-8-17(13-16(15)2)22-20-18-5-3-4-6-19(18)24(21(20)25)14-23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3/b22-20-
InChIKeyJNVHBSWJEJVICB-XDOYNYLZSA-N
MW349.43 g/mol
LogP3.06
Rot. Bonds3

About 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one

3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 3556162) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID3556162
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1C
InChIInChI=1S/C21H23N3O2/c1-15-7-8-17(13-16(15)2)22-20-18-5-3-4-6-19(18)24(21(20)25)14-23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3/b22-20-
InChIKeyJNVHBSWJEJVICB-XDOYNYLZSA-N
XLogP3.06
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylanilino)-2-(2-morpholin-4-ylethyl)-3H-isoindol-1-one
CID 9550457
3-(Arylimino)-1-(2-morpholin-4-yl-ethyl)-1,3-dihydro-indole-2-one, 4
CID 44604651
5-Substituted derivative, 6
CID 44604653
Indol-2(3H)-one, 1-diethylaminomethyl-3-(3-trifluoromethylphenylimino)-
CID 559521
(3Z)-1-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 1043389
(Z)-4-methyl-3-(4-morpholinobenzylidene)indolin-2-one
CID 10663503
3-[(Dimethylamino)azamethylene]-1-[(4-phenylpiperazinyl)methyl]benzo[d]azolidi n-2-one
CID 17370151
2-Indolinone, 1,3-bis(morpholinomethyl)-5-methyl-3-phenyl-
CID 55792
(3Z)-3-[(3-fluorophenyl)imino]-1-[(4-methylpiperidin-1-yl)methyl]-1,3-dihydro-2H-indol-2-one
CID 1250568
3-[(4-fluorophenyl)imino]-1-[(4-methyl-1-piperidinyl)methyl]-1,3-dihydro-2H-indol-2-one
CID 1514613
(3E)-3-[(4-Fluorophenyl)imino]-1-[(piperidin-1-YL)methyl]-2,3-dihydro-1H-indol-2-one
CID 3457995
1-Benzyl-3-morpholin-4-yliminoindol-2-one
CID 74851956

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one (CID 3556162) is 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one is Cc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is JNVHBSWJEJVICB-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-7-8-17(13-16(15)2)22-20-18-5-3-4-6-19(18)24(21(20)25)14-23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3/b22-20-.
What are the key properties of 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one?
3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 3556162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).