4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione

C14H16ClNO4 — CID 103410240

IUPAC4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
SMILESCOCCOCCCN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H16ClNO4/c1-19-8-9-20-7-3-6-16-11-5-2-4-10(15)12(11)13(17)14(16)18/h2,4-5H,3,6-9H2,1H3
InChIKeyDMEDHXJXLZVZBB-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.92
Rot. Bonds7

About 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione

4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione (PubChem CID 103410240) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
PubChem CID103410240
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
SMILESCOCCOCCCN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H16ClNO4/c1-19-8-9-20-7-3-6-16-11-5-2-4-10(15)12(11)13(17)14(16)18/h2,4-5H,3,6-9H2,1H3
InChIKeyDMEDHXJXLZVZBB-UHFFFAOYSA-N
XLogP1.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61359890
4-chloro-1-(3-methylsulfonylpropyl)indole-2,3-dione
CID 63191185
methyl 2-(4-chloro-2,3-dioxoindol-1-yl)acetate
CID 61359306
4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
CID 61357369
1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
CID 103410222
hydrazinyl 3-(4-chloro-2,3-dioxoindol-1-yl)propanoate
CID 66338426
4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 103415708
4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61357751
2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide
CID 61358149
4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
CID 61357943
2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide
CID 63580023
5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
CID 103410239

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione?
The IUPAC name of 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione (CID 103410240) is 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione?
The canonical SMILES for 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione is COCCOCCCN1C(=O)C(=O)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione?
The InChIKey is DMEDHXJXLZVZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-19-8-9-20-7-3-6-16-11-5-2-4-10(15)12(11)13(17)14(16)18/h2,4-5H,3,6-9H2,1H3.
What are the key properties of 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione?
4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione has a molecular weight of 297.74 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione is sourced from PubChem (CID 103410240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).