ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate

C14H16N4O3 — CID 13029756

IUPACethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2cc(C)c(C)cc2nc1C(N)=O
InChIInChI=1S/C14H16N4O3/c1-4-21-14(20)18-13-11(12(15)19)16-9-5-7(2)8(3)6-10(9)17-13/h5-6H,4H2,1-3H3,(H2,15,19)(H,17,18,20)
InChIKeyWYUCVZSGVCTXHY-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.91
Rot. Bonds3

About ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate

ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate (PubChem CID 13029756) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate
PubChem CID13029756
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Nameethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2cc(C)c(C)cc2nc1C(N)=O
InChIInChI=1S/C14H16N4O3/c1-4-21-14(20)18-13-11(12(15)19)16-9-5-7(2)8(3)6-10(9)17-13/h5-6H,4H2,1-3H3,(H2,15,19)(H,17,18,20)
InChIKeyWYUCVZSGVCTXHY-UHFFFAOYSA-N
XLogP1.91
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate?
The IUPAC name of ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate (CID 13029756) is ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate?
The canonical SMILES for ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate is CCOC(=O)Nc1nc2cc(C)c(C)cc2nc1C(N)=O.
What is the InChIKey of ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate?
The InChIKey is WYUCVZSGVCTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-4-21-14(20)18-13-11(12(15)19)16-9-5-7(2)8(3)6-10(9)17-13/h5-6H,4H2,1-3H3,(H2,15,19)(H,17,18,20).
What are the key properties of ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate?
ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate has a molecular weight of 288.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate is sourced from PubChem (CID 13029756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).