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

C20H21N3O2 — CID 746190

IUPAC3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-15-6-8-16(9-7-15)21-19-17-4-2-3-5-18(17)23(20(19)24)14-22-10-12-25-13-11-22/h2-9H,10-14H2,1H3/b21-19-
InChIKeyKJRWFKUDCMMRIM-VZCXRCSSSA-N
MW335.41 g/mol
LogP2.75
Rot. Bonds3

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

3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 746190) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID746190
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-15-6-8-16(9-7-15)21-19-17-4-2-3-5-18(17)23(20(19)24)14-22-10-12-25-13-11-22/h2-9H,10-14H2,1H3/b21-19-
InChIKeyKJRWFKUDCMMRIM-VZCXRCSSSA-N
XLogP2.75
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.75
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-[(6-methyl-1,3-benzothiazol-2-yl)imino]-1-(morpholin-4-ylmethyl)indol-2-one
CID 75078986
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 1254994
3-(4-methoxyphenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 1250579
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyliminoindol-2-one
CID 1018072
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(4-ethylphenyl)iminoindol-2-one
CID 17385505
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3,5-dimethylphenyl)iminoindol-2-one
CID 17370028
ethyl 1-[[3-(4-bromophenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate
CID 17380023
3-(4-iodophenyl)imino-1-[[(3S)-3-methylpiperidin-1-yl]methyl]indol-2-one
CID 92517755
ethyl 1-[[2-oxo-3-(4-phenoxyphenyl)iminoindol-1-yl]methyl]piperidine-4-carboxylate
CID 4211062
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
1-[(4-benzylpiperidin-1-yl)methyl]-3-(3-chloro-4-methylphenyl)iminoindol-2-one
CID 1077253

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one (CID 746190) is 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one is Cc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is KJRWFKUDCMMRIM-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-6-8-16(9-7-15)21-19-17-4-2-3-5-18(17)23(20(19)24)14-22-10-12-25-13-11-22/h2-9H,10-14H2,1H3/b21-19-.
What are the key properties of 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one?
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 746190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).