3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one

C24H26N2O4 — CID 4898370

IUPAC3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one
SMILESCc1c(C)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)c(C)c2oc1=O
InChIInChI=1S/C24H26N2O4/c1-16-17(2)24(28)30-23-18(3)21(10-9-20(16)23)29-15-22(27)26-13-11-25(12-14-26)19-7-5-4-6-8-19/h4-10H,11-15H2,1-3H3
InChIKeyNYTAUCILEZZRNG-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.45
Rot. Bonds4

About 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one

3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one (PubChem CID 4898370) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one
PubChem CID4898370
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one
SMILESCc1c(C)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)c(C)c2oc1=O
InChIInChI=1S/C24H26N2O4/c1-16-17(2)24(28)30-23-18(3)21(10-9-20(16)23)29-15-22(27)26-13-11-25(12-14-26)19-7-5-4-6-8-19/h4-10H,11-15H2,1-3H3
InChIKeyNYTAUCILEZZRNG-UHFFFAOYSA-N
XLogP3.45
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-4,8-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]chromen-2-one
CID 4912655
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723
7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dimethylchromen-2-one
CID 4894408
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one
CID 20861922
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4,8-trimethylchromen-2-one
CID 983934
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277

Frequently Asked Questions

What is the IUPAC name of 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one?
The IUPAC name of 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one (CID 4898370) is 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one.
What is the SMILES notation for 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one?
The canonical SMILES for 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one is Cc1c(C)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)c(C)c2oc1=O.
What is the InChIKey of 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one?
The InChIKey is NYTAUCILEZZRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-17(2)24(28)30-23-18(3)21(10-9-20(16)23)29-15-22(27)26-13-11-25(12-14-26)19-7-5-4-6-8-19/h4-10H,11-15H2,1-3H3.
What are the key properties of 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one?
3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one has a molecular weight of 406.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one is sourced from PubChem (CID 4898370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).