4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one

C22H19NO4 — CID 37238310

IUPAC4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCC(=O)c3c(C)[nH]c4ccccc34)ccc12
InChIInChI=1S/C22H19NO4/c1-3-14-10-21(25)27-20-11-15(8-9-16(14)20)26-12-19(24)22-13(2)23-18-7-5-4-6-17(18)22/h4-11,23H,3,12H2,1-2H3
InChIKeyNCMOGSKMOPADEV-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.41
Rot. Bonds5

About 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one

4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one (PubChem CID 37238310) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one
PubChem CID37238310
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCC(=O)c3c(C)[nH]c4ccccc34)ccc12
InChIInChI=1S/C22H19NO4/c1-3-14-10-21(25)27-20-11-15(8-9-16(14)20)26-12-19(24)22-13(2)23-18-7-5-4-6-17(18)22/h4-11,23H,3,12H2,1-2H3
InChIKeyNCMOGSKMOPADEV-UHFFFAOYSA-N
XLogP4.41
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]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

2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7751372
3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one
CID 2387610
2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7763763
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901959
(7-bromo-2-oxochromen-4-yl)methyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate
CID 71896932
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821333
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one?
The IUPAC name of 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one (CID 37238310) is 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one is CCc1cc(=O)oc2cc(OCC(=O)c3c(C)[nH]c4ccccc34)ccc12.
What is the InChIKey of 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one?
The InChIKey is NCMOGSKMOPADEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-3-14-10-21(25)27-20-11-15(8-9-16(14)20)26-12-19(24)22-13(2)23-18-7-5-4-6-17(18)22/h4-11,23H,3,12H2,1-2H3.
What are the key properties of 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one?
4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one has a molecular weight of 361.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 37238310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).