4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C22H25N3O2 — CID 91542363

IUPAC4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1ccc(OCCN3CCCC3)cc1)C(=O)N2
InChIInChI=1S/C22H25N3O2/c1-16-5-4-6-20-21(16)19(22(26)24-20)15-23-17-7-9-18(10-8-17)27-14-13-25-11-2-3-12-25/h4-10,15,19H,2-3,11-14H2,1H3,(H,24,26)/b23-15+
InChIKeyKUEBZLSIAVPDDV-HZHRSRAPSA-N
MW363.46 g/mol
LogP3.91
Rot. Bonds6

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

4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91542363) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91542363
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1ccc(OCCN3CCCC3)cc1)C(=O)N2
InChIInChI=1S/C22H25N3O2/c1-16-5-4-6-20-21(16)19(22(26)24-20)15-23-17-7-9-18(10-8-17)27-14-13-25-11-2-3-12-25/h4-10,15,19H,2-3,11-14H2,1H3,(H,24,26)/b23-15+
InChIKeyKUEBZLSIAVPDDV-HZHRSRAPSA-N
XLogP3.91
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965
6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90873924
4-methyl-3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90985544
2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91536921
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 90838450
4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91616986
1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
CID 90784526
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
3-[[3-fluoro-4-(pyridin-4-ylmethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90819034
4-fluoro-3-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91600402
1-[2-(4-azidophenoxy)ethyl]azepane
CID 150834626
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91542363) is 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one is Cc1cccc2c1C(/C=N/c1ccc(OCCN3CCCC3)cc1)C(=O)N2.
What is the InChIKey of 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is KUEBZLSIAVPDDV-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-5-4-6-20-21(16)19(22(26)24-20)15-23-17-7-9-18(10-8-17)27-14-13-25-11-2-3-12-25/h4-10,15,19H,2-3,11-14H2,1H3,(H,24,26)/b23-15+.
What are the key properties of 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91542363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).