8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid

C15H17N3O5 — CID 175493098

IUPAC8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid
SMILESCOC(=O)c1ccc2c(c1)N(C)C(=O)C1CNCC(C(=O)O)N21
InChIInChI=1S/C15H17N3O5/c1-17-10-5-8(15(22)23-2)3-4-9(10)18-11(13(17)19)6-16-7-12(18)14(20)21/h3-5,11-12,16H,6-7H2,1-2H3,(H,20,21)
InChIKeyDSFSQKSWRBLNCG-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.32
Rot. Bonds2

About 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid

8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid (PubChem CID 175493098) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid
PubChem CID175493098
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid
SMILESCOC(=O)c1ccc2c(c1)N(C)C(=O)C1CNCC(C(=O)O)N21
InChIInChI=1S/C15H17N3O5/c1-17-10-5-8(15(22)23-2)3-4-9(10)18-11(13(17)19)6-16-7-12(18)14(20)21/h3-5,11-12,16H,6-7H2,1-2H3,(H,20,21)
InChIKeyDSFSQKSWRBLNCG-UHFFFAOYSA-N
XLogP-0.32
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid 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

methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate
CID 156503281
methyl 3-(hydroxymethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylate
CID 25138935
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836
methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate
CID 59456871
methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
5-methoxycarbonyl-2-pyrrolidin-1-ylbenzoic acid
CID 168515414
methyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methoxybenzoate
CID 21071841
methyl 1,3-dimethyl-2,2,4-trioxo-2λ6,1-benzothiazine-7-carboxylate
CID 178078542
methyl 4-(azetidine-3-carbonyl)benzoate;hydrochloride
CID 86263323
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
methyl 4-amino-3-(3,4-dimethoxypyrrolidin-1-yl)benzoate
CID 103537196
methyl 4-chloro-3-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]benzoate;hydrochloride
CID 120844686

Frequently Asked Questions

What is the IUPAC name of 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid?
The IUPAC name of 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid (CID 175493098) is 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid.
What is the SMILES notation for 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid?
The canonical SMILES for 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid is COC(=O)c1ccc2c(c1)N(C)C(=O)C1CNCC(C(=O)O)N21.
What is the InChIKey of 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid?
The InChIKey is DSFSQKSWRBLNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-17-10-5-8(15(22)23-2)3-4-9(10)18-11(13(17)19)6-16-7-12(18)14(20)21/h3-5,11-12,16H,6-7H2,1-2H3,(H,20,21).
What are the key properties of 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid?
8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxycarbonyl-6-methyl-5-oxo-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-1-carboxylic acid is sourced from PubChem (CID 175493098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).