5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one

C14H20N4O2 — CID 79082505

IUPAC5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCN1CCOC(CNc2cc3c(cc2N)CC(=O)N3)C1
InChIInChI=1S/C14H20N4O2/c1-18-2-3-20-10(8-18)7-16-13-6-12-9(4-11(13)15)5-14(19)17-12/h4,6,10,16H,2-3,5,7-8,15H2,1H3,(H,17,19)
InChIKeyYFERMDHUVUFFMW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.51
Rot. Bonds3

About 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one

5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 79082505) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID79082505
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCN1CCOC(CNc2cc3c(cc2N)CC(=O)N3)C1
InChIInChI=1S/C14H20N4O2/c1-18-2-3-20-10(8-18)7-16-13-6-12-9(4-11(13)15)5-14(19)17-12/h4,6,10,16H,2-3,5,7-8,15H2,1H3,(H,17,19)
InChIKeyYFERMDHUVUFFMW-UHFFFAOYSA-N
XLogP0.51
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-fluoro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,2-diamine
CID 79083379
5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
5-amino-6-(2-thiomorpholin-4-ylethylamino)-1,3-dihydroindol-2-one
CID 106324761
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 79224507

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one (CID 79082505) is 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one is CN1CCOC(CNc2cc3c(cc2N)CC(=O)N3)C1.
What is the InChIKey of 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is YFERMDHUVUFFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18-2-3-20-10(8-18)7-16-13-6-12-9(4-11(13)15)5-14(19)17-12/h4,6,10,16H,2-3,5,7-8,15H2,1H3,(H,17,19).
What are the key properties of 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-methylmorpholin-2-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79082505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).