5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one

C16H18N4O — CID 106759462

IUPAC5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one
SMILESCN(C)c1ccccc1Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H18N4O/c1-20(2)15-6-4-3-5-12(15)18-14-9-13-10(7-11(14)17)8-16(21)19-13/h3-7,9,18H,8,17H2,1-2H3,(H,19,21)
InChIKeyQKPKOBRPYCGISK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.57
Rot. Bonds3

About 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one

5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one (PubChem CID 106759462) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one
PubChem CID106759462
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one
SMILESCN(C)c1ccccc1Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H18N4O/c1-20(2)15-6-4-3-5-12(15)18-14-9-13-10(7-11(14)17)8-16(21)19-13/h3-7,9,18H,8,17H2,1-2H3,(H,19,21)
InChIKeyQKPKOBRPYCGISK-UHFFFAOYSA-N
XLogP2.57
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
CID 43451771
5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43451744
5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62814499
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
CID 62809830
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62808776
5-amino-6-(3,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62809822
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile
CID 107797097
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43451855

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one (CID 106759462) is 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one is CN(C)c1ccccc1Nc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one?
The InChIKey is QKPKOBRPYCGISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20(2)15-6-4-3-5-12(15)18-14-9-13-10(7-11(14)17)8-16(21)19-13/h3-7,9,18H,8,17H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one?
5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106759462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).