7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one

C21H23NO2 — CID 71659817

IUPAC7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ccc(C)cc3C)c(=O)oc2c1
InChIInChI=1S/C21H23NO2/c1-5-22(6-2)17-9-8-16-12-19(21(23)24-20(16)13-17)18-10-7-14(3)11-15(18)4/h7-13H,5-6H2,1-4H3
InChIKeyOMVYWWVQIAKMMX-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.92
Rot. Bonds4

About 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one

7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one (PubChem CID 71659817) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one
PubChem CID71659817
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ccc(C)cc3C)c(=O)oc2c1
InChIInChI=1S/C21H23NO2/c1-5-22(6-2)17-9-8-16-12-19(21(23)24-20(16)13-17)18-10-7-14(3)11-15(18)4/h7-13H,5-6H2,1-4H3
InChIKeyOMVYWWVQIAKMMX-UHFFFAOYSA-N
XLogP4.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-3-(3-methylphenyl)chromen-2-one
CID 87585315
7-(diethylamino)-3-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one
CID 10519425
7-(diethylamino)-3-pyridin-1-ium-4-ylchromen-2-one;ethane
CID 142382157
7-(diethylamino)-3-(7-methylbenzo[e][1,3]benzothiazol-2-yl)chromen-2-one
CID 58927036
4-[7-(diethylamino)-2-oxochromen-3-yl]benzonitrile
CID 19090609
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900
7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one
CID 10708251
3-(3-chlorophenyl)-7-(diethylamino)chromen-2-one
CID 3518661
3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
CID 13126342
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline
CID 146488900

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one (CID 71659817) is 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one is CCN(CC)c1ccc2cc(-c3ccc(C)cc3C)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one?
The InChIKey is OMVYWWVQIAKMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-5-22(6-2)17-9-8-16-12-19(21(23)24-20(16)13-17)18-10-7-14(3)11-15(18)4/h7-13H,5-6H2,1-4H3.
What are the key properties of 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one?
7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one has a molecular weight of 321.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one is sourced from PubChem (CID 71659817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).