3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one

C17H18N2O3 — CID 43823453

IUPAC3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3ccc(C)cc32)c(OC)c1
InChIInChI=1S/C17H18N2O3/c1-10-4-6-13-12(8-10)16(17(20)19-13)18-14-7-5-11(21-2)9-15(14)22-3/h4-9,16,18H,1-3H3,(H,19,20)
InChIKeyHGCOLRUWUMZLKO-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.12
Rot. Bonds4

About 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one

3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43823453) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
PubChem CID43823453
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3ccc(C)cc32)c(OC)c1
InChIInChI=1S/C17H18N2O3/c1-10-4-6-13-12(8-10)16(17(20)19-13)18-14-7-5-11(21-2)9-15(14)22-3/h4-9,16,18H,1-3H3,(H,19,20)
InChIKeyHGCOLRUWUMZLKO-UHFFFAOYSA-N
XLogP3.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43824323
3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43191389
3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43194493
5-methyl-3-(2-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43192468
3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one
CID 43726504
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
3-(4-tert-butylanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43823625
5-methoxy-3-(3-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990091
3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43123963
N-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 9178373
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
CID 114990088
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one (CID 43823453) is 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one is COc1ccc(NC2C(=O)Nc3ccc(C)cc32)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is HGCOLRUWUMZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-4-6-13-12(8-10)16(17(20)19-13)18-14-7-5-11(21-2)9-15(14)22-3/h4-9,16,18H,1-3H3,(H,19,20).
What are the key properties of 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one?
3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 298.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43823453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).