8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one

C18H21NO5 — CID 53304519

IUPAC8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
SMILESCC(=O)c1c(OCCN2CCOCC2)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C18H21NO5/c1-12-11-16(21)24-18-14(12)3-4-15(17(18)13(2)20)23-10-7-19-5-8-22-9-6-19/h3-4,11H,5-10H2,1-2H3
InChIKeySFKNCEJGVDBIAG-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.02
Rot. Bonds5

About 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one

8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one (PubChem CID 53304519) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one.

Molecular Properties

Compound Name8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
PubChem CID53304519
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
SMILESCC(=O)c1c(OCCN2CCOCC2)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C18H21NO5/c1-12-11-16(21)24-18-14(12)3-4-15(17(18)13(2)20)23-10-7-19-5-8-22-9-6-19/h3-4,11H,5-10H2,1-2H3
InChIKeySFKNCEJGVDBIAG-UHFFFAOYSA-N
XLogP2.02
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-8-(morpholin-4-ylmethyl)-2-oxochromen-7-yl] prop-2-enoate
CID 909765
(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy thiohypofluorite
CID 155149543
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
7-acetyloxy-4-methyl-2-oxochromene-8-carboxylic acid
CID 16638200
8-acetyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 1336237
6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride
CID 53304985
4-(2-morpholin-4-ylethoxy)chromen-2-one
CID 171354921
(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 19172544
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one?
The IUPAC name of 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one (CID 53304519) is 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one.
What is the SMILES notation for 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one?
The canonical SMILES for 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one is CC(=O)c1c(OCCN2CCOCC2)ccc2c(C)cc(=O)oc12.
What is the InChIKey of 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one?
The InChIKey is SFKNCEJGVDBIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-12-11-16(21)24-18-14(12)3-4-15(17(18)13(2)20)23-10-7-19-5-8-22-9-6-19/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one?
8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one has a molecular weight of 331.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one is sourced from PubChem (CID 53304519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).