3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one

C14H18ClN3O2 — CID 79348753

IUPAC3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1(C)CN(c2cc3c(cc2Cl)C(N)C(=O)N3)CCO1
InChIInChI=1S/C14H18ClN3O2/c1-14(2)7-18(3-4-20-14)11-6-10-8(5-9(11)15)12(16)13(19)17-10/h5-6,12H,3-4,7,16H2,1-2H3,(H,17,19)
InChIKeyXAWDDGJUOWZTGY-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.91
Rot. Bonds1

About 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 79348753) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
PubChem CID79348753
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
SMILESCC1(C)CN(c2cc3c(cc2Cl)C(N)C(=O)N3)CCO1
InChIInChI=1S/C14H18ClN3O2/c1-14(2)7-18(3-4-20-14)11-6-10-8(5-9(11)15)12(16)13(19)17-10/h5-6,12H,3-4,7,16H2,1-2H3,(H,17,19)
InChIKeyXAWDDGJUOWZTGY-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336349
3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 81097444
3-amino-5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dihydroindol-2-one
CID 79349712
5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336741
3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79349803
3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 112625997
5-chloro-6-(3,3-dimethylpiperidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335870
3-amino-5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 114593690
3-amino-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 102744234
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43592539
2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline
CID 104834174

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one (CID 79348753) is 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one is CC1(C)CN(c2cc3c(cc2Cl)C(N)C(=O)N3)CCO1.
What is the InChIKey of 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is XAWDDGJUOWZTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-14(2)7-18(3-4-20-14)11-6-10-8(5-9(11)15)12(16)13(19)17-10/h5-6,12H,3-4,7,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 295.77 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79348753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).