ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate

C18H23N5O3 — CID 1072891

IUPACethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1
InChIInChI=1S/C18H23N5O3/c1-4-26-18(25)23-9-7-22(8-10-23)17(24)21-14-5-6-15-16(11-14)20-13(3)12(2)19-15/h5-6,11H,4,7-10H2,1-3H3,(H,21,24)
InChIKeyXMOPYJNOJNSWCJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.55
Rot. Bonds2

About ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate

ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate (PubChem CID 1072891) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate
PubChem CID1072891
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Nameethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1
InChIInChI=1S/C18H23N5O3/c1-4-26-18(25)23-9-7-22(8-10-23)17(24)21-14-5-6-15-16(11-14)20-13(3)12(2)19-15/h5-6,11H,4,7-10H2,1-3H3,(H,21,24)
InChIKeyXMOPYJNOJNSWCJ-UHFFFAOYSA-N
XLogP2.55
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate (CID 1072891) is ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1.
What is the InChIKey of ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is XMOPYJNOJNSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-26-18(25)23-9-7-22(8-10-23)17(24)21-14-5-6-15-16(11-14)20-13(3)12(2)19-15/h5-6,11H,4,7-10H2,1-3H3,(H,21,24).
What are the key properties of ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate?
ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 1072891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).