7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one

C24H25N3O6 — CID 23987338

IUPAC7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)c(=O)oc2c1
InChIInChI=1S/C24H25N3O6/c1-6-27(7-2)16-9-8-14-10-17(24(28)32-18(14)13-16)23-26-25-22(33-23)15-11-19(29-3)21(31-5)20(12-15)30-4/h8-13H,6-7H2,1-5H3
InChIKeyDHVSAGSFXZTDCJ-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.38
Rot. Bonds8

About 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one

7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one (PubChem CID 23987338) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
PubChem CID23987338
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)c(=O)oc2c1
InChIInChI=1S/C24H25N3O6/c1-6-27(7-2)16-9-8-14-10-17(24(28)32-18(14)13-16)23-26-25-22(33-23)15-11-19(29-3)21(31-5)20(12-15)30-4/h8-13H,6-7H2,1-5H3
InChIKeyDHVSAGSFXZTDCJ-UHFFFAOYSA-N
XLogP4.38
TPSA100.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 1119335
7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one
CID 10708251
4-[7-(diethylamino)-2-oxochromen-3-yl]benzonitrile
CID 19090609
7-(diethylamino)-3-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one
CID 10519425
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
7-(diethylamino)-3-pyridin-1-ium-4-ylchromen-2-one;ethane
CID 142382157
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
CID 13126342
7-(diethylamino)-3-(3-methylphenyl)chromen-2-one
CID 87585315
3-(3-chlorophenyl)-7-(diethylamino)chromen-2-one
CID 3518661
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one
CID 71659817

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one (CID 23987338) is 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one is CCN(CC)c1ccc2cc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
The InChIKey is DHVSAGSFXZTDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-6-27(7-2)16-9-8-14-10-17(24(28)32-18(14)13-16)23-26-25-22(33-23)15-11-19(29-3)21(31-5)20(12-15)30-4/h8-13H,6-7H2,1-5H3.
What are the key properties of 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one?
7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one has a molecular weight of 451.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one is sourced from PubChem (CID 23987338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).