5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one

C17H19N3O — CID 43451744

IUPAC5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
SMILESCC(C)c1ccc(Nc2cc3c(cc2N)CC(=O)N3)cc1
InChIInChI=1S/C17H19N3O/c1-10(2)11-3-5-13(6-4-11)19-16-9-15-12(7-14(16)18)8-17(21)20-15/h3-7,9-10,19H,8,18H2,1-2H3,(H,20,21)
InChIKeyMIKBANOFKDGPCY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.63
Rot. Bonds3

About 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one

5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one (PubChem CID 43451744) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
PubChem CID43451744
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
SMILESCC(C)c1ccc(Nc2cc3c(cc2N)CC(=O)N3)cc1
InChIInChI=1S/C17H19N3O/c1-10(2)11-3-5-13(6-4-11)19-16-9-15-12(7-14(16)18)8-17(21)20-15/h3-7,9-10,19H,8,18H2,1-2H3,(H,20,21)
InChIKeyMIKBANOFKDGPCY-UHFFFAOYSA-N
XLogP3.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
CID 62809830
5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43451855
5-amino-6-(3,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62809822
5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 106759462
5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62814499
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
5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
CID 115126207
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62808776
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 63990134

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one (CID 43451744) is 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one is CC(C)c1ccc(Nc2cc3c(cc2N)CC(=O)N3)cc1.
What is the InChIKey of 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one?
The InChIKey is MIKBANOFKDGPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10(2)11-3-5-13(6-4-11)19-16-9-15-12(7-14(16)18)8-17(21)20-15/h3-7,9-10,19H,8,18H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one?
5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).