2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione

C18H15NO5 — CID 1382504

IUPAC2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
SMILESCc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
InChIKeyOHDSQTULPMWOPD-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.84
Rot. Bonds1

About 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione

2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione (PubChem CID 1382504) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
PubChem CID1382504
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
SMILESCc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
InChIKeyOHDSQTULPMWOPD-UHFFFAOYSA-N
XLogP1.84
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
(2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
CID 118344835
4-(morpholine-4-carbonyl)phenoxazin-3-one
CID 56620410
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone
CID 43174852
3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
CID 175412482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione (CID 1382504) is 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione is Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The InChIKey is OHDSQTULPMWOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3.
What are the key properties of 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione?
2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione has a molecular weight of 325.32 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 1382504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).