ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate

C24H24N2O5 — CID 25069693

IUPACethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc4[nH]ccc4c3)cc21
InChIInChI=1S/C24H24N2O5/c1-3-29-21(27)13-18-17-12-15(14-5-7-19-16(11-14)9-10-26-19)6-8-20(17)31-23(25)22(18)24(28)30-4-2/h5-12,18,26H,3-4,13,25H2,1-2H3
InChIKeyQHGZTKVVLROOFG-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.00
Rot. Bonds6

About ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate

ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate (PubChem CID 25069693) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate
PubChem CID25069693
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc4[nH]ccc4c3)cc21
InChIInChI=1S/C24H24N2O5/c1-3-29-21(27)13-18-17-12-15(14-5-7-19-16(11-14)9-10-26-19)6-8-20(17)31-23(25)22(18)24(28)30-4-2/h5-12,18,26H,3-4,13,25H2,1-2H3
InChIKeyQHGZTKVVLROOFG-UHFFFAOYSA-N
XLogP4.00
TPSA103.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate (CID 25069693) is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate is CCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc4[nH]ccc4c3)cc21.
What is the InChIKey of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate?
The InChIKey is QHGZTKVVLROOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-3-29-21(27)13-18-17-12-15(14-5-7-19-16(11-14)9-10-26-19)6-8-20(17)31-23(25)22(18)24(28)30-4-2/h5-12,18,26H,3-4,13,25H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate?
ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate is sourced from PubChem (CID 25069693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).