[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

C22H20N2O4 — CID 8821560

IUPAC[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O4/c25-21(23-10-9-16-12-24-19-7-3-2-6-18(16)19)14-28-22(26)17-11-15-5-1-4-8-20(15)27-13-17/h1-8,11-12,24H,9-10,13-14H2,(H,23,25)
InChIKeyBPQMJDAVVDLMRT-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.85
Rot. Bonds6

About [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8821560) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8821560
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O4/c25-21(23-10-9-16-12-24-19-7-3-2-6-18(16)19)14-28-22(26)17-11-15-5-1-4-8-20(15)27-13-17/h1-8,11-12,24H,9-10,13-14H2,(H,23,25)
InChIKeyBPQMJDAVVDLMRT-UHFFFAOYSA-N
XLogP2.85
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate 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-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
CID 8748008
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8551687
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202567
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229214
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18202739
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807940
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018351
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 9338370
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8653138
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8821560) is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is BPQMJDAVVDLMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(23-10-9-16-12-24-19-7-3-2-6-18(16)19)14-28-22(26)17-11-15-5-1-4-8-20(15)27-13-17/h1-8,11-12,24H,9-10,13-14H2,(H,23,25).
What are the key properties of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8821560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).