ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate

C28H26N4O3 — CID 3904725

IUPACethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C28H26N4O3/c1-2-35-28(34)32-17-15-31(16-18-32)27(33)22-13-14-23-24(19-22)30-26(21-11-7-4-8-12-21)25(29-23)20-9-5-3-6-10-20/h3-14,19H,2,15-18H2,1H3
InChIKeyVIGFPAMVQSNDMA-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.88
Rot. Bonds4

About ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate

ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate (PubChem CID 3904725) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate
PubChem CID3904725
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Nameethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C28H26N4O3/c1-2-35-28(34)32-17-15-31(16-18-32)27(33)22-13-14-23-24(19-22)30-26(21-11-7-4-8-12-21)25(29-23)20-9-5-3-6-10-20/h3-14,19H,2,15-18H2,1H3
InChIKeyVIGFPAMVQSNDMA-UHFFFAOYSA-N
XLogP4.88
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate (CID 3904725) is ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1.
What is the InChIKey of ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate?
The InChIKey is VIGFPAMVQSNDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-2-35-28(34)32-17-15-31(16-18-32)27(33)22-13-14-23-24(19-22)30-26(21-11-7-4-8-12-21)25(29-23)20-9-5-3-6-10-20/h3-14,19H,2,15-18H2,1H3.
What are the key properties of ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate?
ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 3904725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).