6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one

C17H18N2O2 — CID 81301480

IUPAC6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCc1ccc(N(C)c2ccc3c(c2)N(C)C(=O)C3O)cc1
InChIInChI=1S/C17H18N2O2/c1-11-4-6-12(7-5-11)18(2)13-8-9-14-15(10-13)19(3)17(21)16(14)20/h4-10,16,20H,1-3H3
InChIKeyRBXGMUFEVJQWMM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.77
Rot. Bonds2

About 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one

6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 81301480) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID81301480
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCc1ccc(N(C)c2ccc3c(c2)N(C)C(=O)C3O)cc1
InChIInChI=1S/C17H18N2O2/c1-11-4-6-12(7-5-11)18(2)13-8-9-14-15(10-13)19(3)17(21)16(14)20/h4-10,16,20H,1-3H3
InChIKeyRBXGMUFEVJQWMM-UHFFFAOYSA-N
XLogP2.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one (CID 81301480) is 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one is Cc1ccc(N(C)c2ccc3c(c2)N(C)C(=O)C3O)cc1.
What is the InChIKey of 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is RBXGMUFEVJQWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-4-6-12(7-5-11)18(2)13-8-9-14-15(10-13)19(3)17(21)16(14)20/h4-10,16,20H,1-3H3.
What are the key properties of 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one?
6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N,4-dimethylanilino)-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81301480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).