6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one

C16H23N3O — CID 43586559

IUPAC6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCCCCC3)ccc21
InChIInChI=1S/C16H23N3O/c1-2-17-15-13-8-7-12(11-14(13)18-16(15)20)19-9-5-3-4-6-10-19/h7-8,11,15,17H,2-6,9-10H2,1H3,(H,18,20)
InChIKeyBTOGOJBFQXURJA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.67
Rot. Bonds3

About 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one

6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 43586559) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID43586559
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCCCCC3)ccc21
InChIInChI=1S/C16H23N3O/c1-2-17-15-13-8-7-12(11-14(13)18-16(15)20)19-9-5-3-4-6-10-19/h7-8,11,15,17H,2-6,9-10H2,1H3,(H,18,20)
InChIKeyBTOGOJBFQXURJA-UHFFFAOYSA-N
XLogP2.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 62936578
3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 61420962
6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 43586661
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one
CID 63369234
6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 43586866
6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586839
1-[3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 43586522
3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one
CID 63370119
6-(3,4-dimethoxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 103534541
5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79342697
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one (CID 43586559) is 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N3CCCCCC3)ccc21.
What is the InChIKey of 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is BTOGOJBFQXURJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-17-15-13-8-7-12(11-14(13)18-16(15)20)19-9-5-3-4-6-10-19/h7-8,11,15,17H,2-6,9-10H2,1H3,(H,18,20).
What are the key properties of 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).