5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one

C12H15ClN2O3 — CID 79349128

IUPAC5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OCCCO)c(Cl)cc21
InChIInChI=1S/C12H15ClN2O3/c1-14-11-7-5-8(13)10(18-4-2-3-16)6-9(7)15-12(11)17/h5-6,11,14,16H,2-4H2,1H3,(H,15,17)
InChIKeyHOLQKETVPOPXPV-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.31
Rot. Bonds5

About 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one

5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79349128) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79349128
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OCCCO)c(Cl)cc21
InChIInChI=1S/C12H15ClN2O3/c1-14-11-7-5-8(13)10(18-4-2-3-16)6-9(7)15-12(11)17/h5-6,11,14,16H,2-4H2,1H3,(H,15,17)
InChIKeyHOLQKETVPOPXPV-UHFFFAOYSA-N
XLogP1.31
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one (CID 79349128) is 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(OCCCO)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is HOLQKETVPOPXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-14-11-7-5-8(13)10(18-4-2-3-16)6-9(7)15-12(11)17/h5-6,11,14,16H,2-4H2,1H3,(H,15,17).
What are the key properties of 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 270.72 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).