6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid

C13H14N2O3 — CID 112577448

IUPAC6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid
SMILESO=C(O)c1cccc2c1N1CCCCC1C(=O)N2
InChIInChI=1S/C13H14N2O3/c16-12-10-6-1-2-7-15(10)11-8(13(17)18)4-3-5-9(11)14-12/h3-5,10H,1-2,6-7H2,(H,14,16)(H,17,18)
InChIKeyJRVMIMSXYGEWGH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.70
Rot. Bonds1

About 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid

6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid (PubChem CID 112577448) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid
PubChem CID112577448
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid
SMILESO=C(O)c1cccc2c1N1CCCCC1C(=O)N2
InChIInChI=1S/C13H14N2O3/c16-12-10-6-1-2-7-15(10)11-8(13(17)18)4-3-5-9(11)14-12/h3-5,10H,1-2,6-7H2,(H,14,16)(H,17,18)
InChIKeyJRVMIMSXYGEWGH-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 124511746
1,2-difluoro-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoxalin-6-one
CID 79296592
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
(3aR)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 1487670
2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 103964912
1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839788
3-methyl-2-(2-methylpiperidin-1-yl)benzoic acid
CID 107112011
1-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;propane
CID 143528648
4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577479
N-benzyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349889
4-methyl-1,3,8-triazatricyclo[8.5.0.02,7]pentadeca-2(7),3,5-trien-9-one
CID 81136783
10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
CID 82909395

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid?
The IUPAC name of 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid (CID 112577448) is 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid.
What is the SMILES notation for 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid?
The canonical SMILES for 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid is O=C(O)c1cccc2c1N1CCCCC1C(=O)N2.
What is the InChIKey of 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid?
The InChIKey is JRVMIMSXYGEWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12-10-6-1-2-7-15(10)11-8(13(17)18)4-3-5-9(11)14-12/h3-5,10H,1-2,6-7H2,(H,14,16)(H,17,18).
What are the key properties of 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid?
6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid is sourced from PubChem (CID 112577448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).