6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid

C15H21N3O2 — CID 84642188

IUPAC6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid
SMILESCC(C)N1CC2CNCCN2c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H21N3O2/c1-10(2)18-9-12-8-16-5-6-17(12)13-4-3-11(15(19)20)7-14(13)18/h3-4,7,10,12,16H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyNOSGNTJPLYPQFD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds2

About 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid

6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid (PubChem CID 84642188) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid
PubChem CID84642188
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid
SMILESCC(C)N1CC2CNCCN2c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H21N3O2/c1-10(2)18-9-12-8-16-5-6-17(12)13-4-3-11(15(19)20)7-14(13)18/h3-4,7,10,12,16H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyNOSGNTJPLYPQFD-UHFFFAOYSA-N
XLogP1.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid with MolForge

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Related Compounds

9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84637933
1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1]benzazepine-9-carboxylic acid
CID 68801411
7-chloro-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640114
4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030660
2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-3-phenylpropanoic acid;hydrochloride
CID 155089820
3-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 45073187
6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626679
1-(1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 84751024
3-[(2S)-2-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 45072796
4-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenoxy]benzoic acid
CID 137385803
2,3,4,4a,5,7-hexahydro-1H-pyrazino[1,2-a][4,1]benzoxazepine-9-carboxamide
CID 171488301
4-[3-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]-5-fluorophenoxy]-3-methylbenzoic acid
CID 149357737

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid?
The IUPAC name of 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid (CID 84642188) is 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid is CC(C)N1CC2CNCCN2c2ccc(C(=O)O)cc21.
What is the InChIKey of 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid?
The InChIKey is NOSGNTJPLYPQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)18-9-12-8-16-5-6-17(12)13-4-3-11(15(19)20)7-14(13)18/h3-4,7,10,12,16H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid?
6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid is sourced from PubChem (CID 84642188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).