5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one

C12H15ClN2O2 — CID 79336757

IUPAC5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(CC)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C12H15ClN2O2/c1-3-15(4-2)10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6,11,16H,3-4H2,1-2H3,(H,14,17)
InChIKeyJTMATNDNVUISPI-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.17
Rot. Bonds3

About 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one

5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79336757) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79336757
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(CC)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C12H15ClN2O2/c1-3-15(4-2)10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6,11,16H,3-4H2,1-2H3,(H,14,17)
InChIKeyJTMATNDNVUISPI-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336625
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79345018
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(cyanomethyl)amino]acetonitrile
CID 79336274
6-[butan-2-yl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336894
5-chloro-6-(N-ethylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79345004
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide
CID 79341794
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-chloro-6-(diethylamino)-3-(propylamino)-1,3-dihydroindol-2-one
CID 79349525
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide
CID 79341806
5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79336490
6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79341801

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one (CID 79336757) is 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one is CCN(CC)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is JTMATNDNVUISPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-3-15(4-2)10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6,11,16H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one?
5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 254.72 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).