5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one

C14H17ClN2O3 — CID 79348953

IUPAC5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC3CCOCC3)c(Cl)cc21
InChIInChI=1S/C14H17ClN2O3/c1-16-13-9-6-10(15)12(7-11(9)17-14(13)18)20-8-2-4-19-5-3-8/h6-8,13,16H,2-5H2,1H3,(H,17,18)
InChIKeyMMFVKTDCFYOGGR-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.11
Rot. Bonds3

About 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one

5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one (PubChem CID 79348953) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
PubChem CID79348953
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC3CCOCC3)c(Cl)cc21
InChIInChI=1S/C14H17ClN2O3/c1-16-13-9-6-10(15)12(7-11(9)17-14(13)18)20-8-2-4-19-5-3-8/h6-8,13,16H,2-5H2,1H3,(H,17,18)
InChIKeyMMFVKTDCFYOGGR-UHFFFAOYSA-N
XLogP2.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349836
5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 106202243
5-chloro-6-(2-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344351
5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349128
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
5-chloro-6-(2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344349
5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342494
3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
CID 63369981
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 114341297
6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 63370006
5-chloro-6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79348925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one (CID 79348953) is 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(OC3CCOCC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one?
The InChIKey is MMFVKTDCFYOGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-16-13-9-6-10(15)12(7-11(9)17-14(13)18)20-8-2-4-19-5-3-8/h6-8,13,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one has a molecular weight of 296.75 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79348953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).