1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one

C17H16N2O3 — CID 894146

IUPAC1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)N1CCOCC1
InChIInChI=1S/C17H16N2O3/c20-15(18-7-9-22-10-8-18)11-19-14-6-2-4-12-3-1-5-13(16(12)14)17(19)21/h1-6H,7-11H2
InChIKeyJPSPQVFCHMFBRK-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.66
Rot. Bonds2

About 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one

1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one (PubChem CID 894146) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
PubChem CID894146
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)N1CCOCC1
InChIInChI=1S/C17H16N2O3/c20-15(18-7-9-22-10-8-18)11-19-14-6-2-4-12-3-1-5-13(16(12)14)17(19)21/h1-6H,7-11H2
InChIKeyJPSPQVFCHMFBRK-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
CID 848359
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
CID 4219905
2-[2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2884139
2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 1099760
2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
CID 17449767
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione
CID 8991325
5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
CID 2411932
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one (CID 894146) is 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one is O=C(CN1C(=O)c2cccc3cccc1c23)N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one?
The InChIKey is JPSPQVFCHMFBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-15(18-7-9-22-10-8-18)11-19-14-6-2-4-12-3-1-5-13(16(12)14)17(19)21/h1-6H,7-11H2.
What are the key properties of 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one?
1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one has a molecular weight of 296.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one is sourced from PubChem (CID 894146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).