5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one

C16H23N3O2 — CID 43675782

IUPAC5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NC(C)CN1CCOCC1)C(=O)N2
InChIInChI=1S/C16H23N3O2/c1-11-3-4-14-13(9-11)15(16(20)18-14)17-12(2)10-19-5-7-21-8-6-19/h3-4,9,12,15,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyQRHLIYHDVDXESK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.30
Rot. Bonds4

About 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one

5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43675782) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43675782
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NC(C)CN1CCOCC1)C(=O)N2
InChIInChI=1S/C16H23N3O2/c1-11-3-4-14-13(9-11)15(16(20)18-14)17-12(2)10-19-5-7-21-8-6-19/h3-4,9,12,15,17H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyQRHLIYHDVDXESK-UHFFFAOYSA-N
XLogP1.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one (CID 43675782) is 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(NC(C)CN1CCOCC1)C(=O)N2.
What is the InChIKey of 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is QRHLIYHDVDXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-3-4-14-13(9-11)15(16(20)18-14)17-12(2)10-19-5-7-21-8-6-19/h3-4,9,12,15,17H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-morpholin-4-ylpropan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43675782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).