3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one

C14H18ClN3O2 — CID 43254864

IUPAC3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
SMILESNC1C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3O2/c15-10-1-2-12-11(9-10)13(16)14(19)18(12)4-3-17-5-7-20-8-6-17/h1-2,9,13H,3-8,16H2
InChIKeyZALUCNCVSYUOBQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.02
Rot. Bonds3

About 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one

3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one (PubChem CID 43254864) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
PubChem CID43254864
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
SMILESNC1C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3O2/c15-10-1-2-12-11(9-10)13(16)14(19)18(12)4-3-17-5-7-20-8-6-17/h1-2,9,13H,3-8,16H2
InChIKeyZALUCNCVSYUOBQ-UHFFFAOYSA-N
XLogP1.02
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The IUPAC name of 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one (CID 43254864) is 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The canonical SMILES for 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one is NC1C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The InChIKey is ZALUCNCVSYUOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-1-2-12-11(9-10)13(16)14(19)18(12)4-3-17-5-7-20-8-6-17/h1-2,9,13H,3-8,16H2.
What are the key properties of 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one has a molecular weight of 295.77 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one is sourced from PubChem (CID 43254864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).