3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one

C17H19N3O — CID 43726504

IUPAC3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1ccccc1N(C)C)C(=O)N2
InChIInChI=1S/C17H19N3O/c1-11-8-9-13-12(10-11)16(17(21)19-13)18-14-6-4-5-7-15(14)20(2)3/h4-10,16,18H,1-3H3,(H,19,21)
InChIKeyQDIUQFBLEJLSKE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds3

About 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one

3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43726504) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one
PubChem CID43726504
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1ccccc1N(C)C)C(=O)N2
InChIInChI=1S/C17H19N3O/c1-11-8-9-13-12(10-11)16(17(21)19-13)18-14-6-4-5-7-15(14)20(2)3/h4-10,16,18H,1-3H3,(H,19,21)
InChIKeyQDIUQFBLEJLSKE-UHFFFAOYSA-N
XLogP3.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one (CID 43726504) is 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(Nc1ccccc1N(C)C)C(=O)N2.
What is the InChIKey of 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is QDIUQFBLEJLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-8-9-13-12(10-11)16(17(21)19-13)18-14-6-4-5-7-15(14)20(2)3/h4-10,16,18H,1-3H3,(H,19,21).
What are the key properties of 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one?
3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43726504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).