3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one

C22H28N4O — CID 91325477

IUPAC3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCCN(CC)CC(C)Nc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H28N4O/c1-4-26(5-2)15-16(3)24-18-12-10-17(11-13-18)23-14-20-19-8-6-7-9-21(19)25-22(20)27/h6-14,16,20,24H,4-5,15H2,1-3H3,(H,25,27)/b23-14+
InChIKeyXJASNPAIXWLETF-OEAKJJBVSA-N
MW364.49 g/mol
LogP4.27
Rot. Bonds8

About 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one

3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91325477) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91325477
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCCN(CC)CC(C)Nc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H28N4O/c1-4-26(5-2)15-16(3)24-18-12-10-17(11-13-18)23-14-20-19-8-6-7-9-21(19)25-22(20)27/h6-14,16,20,24H,4-5,15H2,1-3H3,(H,25,27)/b23-14+
InChIKeyXJASNPAIXWLETF-OEAKJJBVSA-N
XLogP4.27
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90910152
2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole
CID 91120998
3-[(4-aminophenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90740050
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90708413
6-fluoro-3-[[4-(1-methoxypropan-2-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91503293
3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90992179
2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91139489
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91195491
3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91543672
3-[[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91402105
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453
3-[[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90798818

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91325477) is 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one is CCN(CC)CC(C)Nc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is XJASNPAIXWLETF-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H28N4O/c1-4-26(5-2)15-16(3)24-18-12-10-17(11-13-18)23-14-20-19-8-6-7-9-21(19)25-22(20)27/h6-14,16,20,24H,4-5,15H2,1-3H3,(H,25,27)/b23-14+.
What are the key properties of 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 364.49 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91325477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).