1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one

C15H21N3O2 — CID 98033832

IUPAC1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NCCN3CCOCC3)ccc21
InChIInChI=1S/C15H21N3O2/c1-17-14-3-2-13(10-12(14)11-15(17)19)16-4-5-18-6-8-20-9-7-18/h2-3,10,16H,4-9,11H2,1H3
InChIKeyLTPDKYDBSAKEQJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.95
Rot. Bonds4

About 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one

1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one (PubChem CID 98033832) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
PubChem CID98033832
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NCCN3CCOCC3)ccc21
InChIInChI=1S/C15H21N3O2/c1-17-14-3-2-13(10-12(14)11-15(17)19)16-4-5-18-6-8-20-9-7-18/h2-3,10,16H,4-9,11H2,1H3
InChIKeyLTPDKYDBSAKEQJ-UHFFFAOYSA-N
XLogP0.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
CID 115227603
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid
CID 115218869
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115200987
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one
CID 115207235
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one (CID 98033832) is 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one is CN1C(=O)Cc2cc(NCCN3CCOCC3)ccc21.
What is the InChIKey of 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one?
The InChIKey is LTPDKYDBSAKEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-14-3-2-13(10-12(14)11-15(17)19)16-4-5-18-6-8-20-9-7-18/h2-3,10,16H,4-9,11H2,1H3.
What are the key properties of 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one?
1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one is sourced from PubChem (CID 98033832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).