6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione

C14H15ClN2O3 — CID 61354619

IUPAC6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCOCC2)c2cc(Cl)ccc21
InChIInChI=1S/C14H15ClN2O3/c15-10-1-2-11-12(9-10)17(14(19)13(11)18)4-3-16-5-7-20-8-6-16/h1-2,9H,3-8H2
InChIKeyPWNAOGVYHMTKIN-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.20
Rot. Bonds3

About 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione

6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione (PubChem CID 61354619) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione
PubChem CID61354619
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCOCC2)c2cc(Cl)ccc21
InChIInChI=1S/C14H15ClN2O3/c15-10-1-2-11-12(9-10)17(14(19)13(11)18)4-3-16-5-7-20-8-6-16/h1-2,9H,3-8H2
InChIKeyPWNAOGVYHMTKIN-UHFFFAOYSA-N
XLogP1.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione
CID 141379908
6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
CID 61357091
3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254864
6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione
CID 61388444
6-chloro-1-hept-6-enylindole-2,3-dione
CID 107007431
5-chloro-3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one
CID 44604649
bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)
CID 141477274
1-but-2-enyl-6-chloroindole-2,3-dione
CID 61356254
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251
6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79173662
methyl 4-(6-chloro-2,3-dioxoindol-1-yl)butanoate
CID 55138801
6-chloro-1-phenacylindole-2,3-dione
CID 62023849

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione?
The IUPAC name of 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione (CID 61354619) is 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione?
The canonical SMILES for 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCN2CCOCC2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione?
The InChIKey is PWNAOGVYHMTKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c15-10-1-2-11-12(9-10)17(14(19)13(11)18)4-3-16-5-7-20-8-6-16/h1-2,9H,3-8H2.
What are the key properties of 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione?
6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione has a molecular weight of 294.74 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61354619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).