3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one

C20H24N4O — CID 90910152

IUPAC3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCN(C)CCCNc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C20H24N4O/c1-24(2)13-5-12-21-15-8-10-16(11-9-15)22-14-18-17-6-3-4-7-19(17)23-20(18)25/h3-4,6-11,14,18,21H,5,12-13H2,1-2H3,(H,23,25)/b22-14+
InChIKeyOKFQHCXCIQXBHD-HYARGMPZSA-N
MW336.44 g/mol
LogP3.49
Rot. Bonds7

About 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one

3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90910152) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90910152
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCN(C)CCCNc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C20H24N4O/c1-24(2)13-5-12-21-15-8-10-16(11-9-15)22-14-18-17-6-3-4-7-19(17)23-20(18)25/h3-4,6-11,14,18,21H,5,12-13H2,1-2H3,(H,23,25)/b22-14+
InChIKeyOKFQHCXCIQXBHD-HYARGMPZSA-N
XLogP3.49
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[1-(diethylamino)propan-2-ylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91325477
2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole
CID 91120998
3-[(4-aminophenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90740050
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91195491
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90708413
2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91139489
3-[[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90798818
3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90992179
3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91543672
6-fluoro-3-[[4-[3-(2-methylpiperidin-1-yl)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90949850
5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91523176
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 90910152) is 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one is CN(C)CCCNc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is OKFQHCXCIQXBHD-HYARGMPZSA-N. The full InChI is InChI=1S/C20H24N4O/c1-24(2)13-5-12-21-15-8-10-16(11-9-15)22-14-18-17-6-3-4-7-19(17)23-20(18)25/h3-4,6-11,14,18,21H,5,12-13H2,1-2H3,(H,23,25)/b22-14+.
What are the key properties of 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(dimethylamino)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90910152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).