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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
CID 12887749
ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
CID 39886314
ethyl N-[2-[(5-carbamoyl-2H-triazol-4-yl)amino]-5-methylphenyl]carbamate
CID 10852033
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 115630334
ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate
CID 142709307
ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886311
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 110470603
ethyl 3-(1,3-benzodioxol-5-ylmethylamino)-6,7-dimethylquinoxaline-2-carboxylate
CID 39886329
4-(ethoxycarbonylamino)-6-methylbenzene-1,3-dicarboxylic acid
CID 174441448
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260

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).