6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one

C14H19ClN2O4 — CID 79345018

IUPAC6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCOCCN(CCOC)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C14H19ClN2O4/c1-20-5-3-17(4-6-21-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8,13,18H,3-6H2,1-2H3,(H,16,19)
InChIKeyILWIYTKXICFBKQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.42
Rot. Bonds7

About 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one

6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79345018) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79345018
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCOCCN(CCOC)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C14H19ClN2O4/c1-20-5-3-17(4-6-21-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8,13,18H,3-6H2,1-2H3,(H,16,19)
InChIKeyILWIYTKXICFBKQ-UHFFFAOYSA-N
XLogP1.42
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336757
5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336625
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(cyanomethyl)amino]acetonitrile
CID 79336274
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide
CID 79341794
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79336490
6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758225
6-[butan-2-yl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336894
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide
CID 79341806
6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione
CID 79342525
5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 80758147

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (CID 79345018) is 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is COCCN(CCOC)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is ILWIYTKXICFBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-20-5-3-17(4-6-21-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8,13,18H,3-6H2,1-2H3,(H,16,19).
What are the key properties of 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 314.77 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79345018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).