4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C23H28N4O2 — CID 91616986

IUPAC4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3cccc(C)c32)ccc1NCCN1CCOCC1
InChIInChI=1S/C23H28N4O2/c1-16-4-3-5-21-22(16)19(23(28)26-21)15-25-18-6-7-20(17(2)14-18)24-8-9-27-10-12-29-13-11-27/h3-7,14-15,19,24H,8-13H2,1-2H3,(H,26,28)/b25-15+
InChIKeyHIGKQZKVVIKINC-MFKUBSTISA-N
MW392.50 g/mol
LogP3.49
Rot. Bonds6

About 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91616986) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91616986
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3cccc(C)c32)ccc1NCCN1CCOCC1
InChIInChI=1S/C23H28N4O2/c1-16-4-3-5-21-22(16)19(23(28)26-21)15-25-18-6-7-20(17(2)14-18)24-8-9-27-10-12-29-13-11-27/h3-7,14-15,19,24H,8-13H2,1-2H3,(H,26,28)/b25-15+
InChIKeyHIGKQZKVVIKINC-MFKUBSTISA-N
XLogP3.49
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90985544
6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91423097
4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90773092
3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91059431
4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91542363
2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91466833
5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91523176
2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91536921
3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one
CID 91553444
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851
4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605378
4-fluoro-3-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91600402

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91616986) is 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is Cc1cc(/N=C/C2C(=O)Nc3cccc(C)c32)ccc1NCCN1CCOCC1.
What is the InChIKey of 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is HIGKQZKVVIKINC-MFKUBSTISA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-4-3-5-21-22(16)19(23(28)26-21)15-25-18-6-7-20(17(2)14-18)24-8-9-27-10-12-29-13-11-27/h3-7,14-15,19,24H,8-13H2,1-2H3,(H,26,28)/b25-15+.
What are the key properties of 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91616986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).