ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate

C24H27N5O3 — CID 108774216

IUPACethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3ccccc3nc2NC2CCOc3ccccc32)CC1
InChIInChI=1S/C24H27N5O3/c1-2-31-24(30)29-14-12-28(13-15-29)23-22(26-19-8-4-5-9-20(19)27-23)25-18-11-16-32-21-10-6-3-7-17(18)21/h3-10,18H,2,11-16H2,1H3,(H,25,26)
InChIKeyPDZFUFZFHGQIMD-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.84
Rot. Bonds4

About ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate

ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate (PubChem CID 108774216) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate
PubChem CID108774216
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Nameethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3ccccc3nc2NC2CCOc3ccccc32)CC1
InChIInChI=1S/C24H27N5O3/c1-2-31-24(30)29-14-12-28(13-15-29)23-22(26-19-8-4-5-9-20(19)27-23)25-18-11-16-32-21-10-6-3-7-17(18)21/h3-10,18H,2,11-16H2,1H3,(H,25,26)
InChIKeyPDZFUFZFHGQIMD-UHFFFAOYSA-N
XLogP3.84
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-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 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate (CID 108774216) is ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc3ccccc3nc2NC2CCOc3ccccc32)CC1.
What is the InChIKey of ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate?
The InChIKey is PDZFUFZFHGQIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-2-31-24(30)29-14-12-28(13-15-29)23-22(26-19-8-4-5-9-20(19)27-23)25-18-11-16-32-21-10-6-3-7-17(18)21/h3-10,18H,2,11-16H2,1H3,(H,25,26).
What are the key properties of ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate?
ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3,4-dihydro-2H-chromen-4-ylamino)quinoxalin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 108774216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).