2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide

C20H20N2O5 — CID 1179676

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCN1CCOCC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H20N2O5/c1-12-15(20(25)21-6-7-22-8-10-26-11-9-22)16-17(23)13-4-2-3-5-14(13)18(24)19(16)27-12/h2-5H,6-11H2,1H3,(H,21,25)
InChIKeyCMWDBDIQHYUVIZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.43
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide (PubChem CID 1179676) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
PubChem CID1179676
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCN1CCOCC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H20N2O5/c1-12-15(20(25)21-6-7-22-8-10-26-11-9-22)16-17(23)13-4-2-3-5-14(13)18(24)19(16)27-12/h2-5H,6-11H2,1H3,(H,21,25)
InChIKeyCMWDBDIQHYUVIZ-UHFFFAOYSA-N
XLogP1.43
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 701360
3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
CID 175412482
2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 1382504
N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride
CID 71828610
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2,4,5-trimethyl-N-(3-morpholin-4-ylpropyl)furan-3-carboxamide
CID 47136432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide (CID 1179676) is 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCCN1CCOCC1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The InChIKey is CMWDBDIQHYUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12-15(20(25)21-6-7-22-8-10-26-11-9-22)16-17(23)13-4-2-3-5-14(13)18(24)19(16)27-12/h2-5H,6-11H2,1H3,(H,21,25).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide is sourced from PubChem (CID 1179676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).