6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione

C14H17ClN2O4 — CID 79342525

IUPAC6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione
SMILESCOCCN(CCOC)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C14H17ClN2O4/c1-20-5-3-17(4-6-21-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8H,3-6H2,1-2H3,(H,16,18,19)
InChIKeyFVUIQCKQOLEPKX-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.57
Rot. Bonds7

About 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione

6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione (PubChem CID 79342525) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione
PubChem CID79342525
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione
SMILESCOCCN(CCOC)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C14H17ClN2O4/c1-20-5-3-17(4-6-21-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8H,3-6H2,1-2H3,(H,16,18,19)
InChIKeyFVUIQCKQOLEPKX-UHFFFAOYSA-N
XLogP1.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylbutanamide
CID 79335938
5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1H-indole-2,3-dione
CID 79336093
3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 79336153
5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
CID 79336228
3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 79336283
5-Chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione
CID 79336291
5-Chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione
CID 79336293
5-Chloro-6-fluoro-1-(2-propan-2-yloxyethyl)indole-2,3-dione
CID 79336427
3-(5-Chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide
CID 79336503
5-Chloro-1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 79336569
1-(2-Butoxyethyl)-5-chloro-6-fluoroindole-2,3-dione
CID 79336639
5-Chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
CID 79336703

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione?
The IUPAC name of 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione (CID 79342525) is 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione?
The canonical SMILES for 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione is COCCN(CCOC)c1cc2c(cc1Cl)C(=O)C(=O)N2.
What is the InChIKey of 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione?
The InChIKey is FVUIQCKQOLEPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-20-5-3-17(4-6-21-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8H,3-6H2,1-2H3,(H,16,18,19).
What are the key properties of 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione?
6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione has a molecular weight of 312.75 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-methoxyethyl)amino]-5-chloro-1H-indole-2,3-dione is sourced from PubChem (CID 79342525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).