(9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C17H15FN4O3 — CID 95131147

IUPAC(9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NCC(=O)N2CCN(C(=O)c3ccc4cccc(F)c4n3)C[C@H]12
InChIInChI=1S/C17H15FN4O3/c18-11-3-1-2-10-4-5-12(20-15(10)11)17(25)21-6-7-22-13(9-21)16(24)19-8-14(22)23/h1-5,13H,6-9H2,(H,19,24)/t13-/m1/s1
InChIKeyGIHZHVPTFGWUFG-CYBMUJFWSA-N
MW342.33 g/mol
LogP0.16
Rot. Bonds1

About (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 95131147) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID95131147
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name(9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NCC(=O)N2CCN(C(=O)c3ccc4cccc(F)c4n3)C[C@H]12
InChIInChI=1S/C17H15FN4O3/c18-11-3-1-2-10-4-5-12(20-15(10)11)17(25)21-6-7-22-13(9-21)16(24)19-8-14(22)23/h1-5,13H,6-9H2,(H,19,24)/t13-/m1/s1
InChIKeyGIHZHVPTFGWUFG-CYBMUJFWSA-N
XLogP0.16
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Related Compounds

2-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50973625
2-(1H-indole-6-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50983370
(9aR)-2-(2,3-dihydro-1-benzofuran-7-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95122453
2-(3-phenyltriazole-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50964156
[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 97127277
(9aS)-2-[2-(1,1,2,2-tetrafluoroethoxy)benzoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95135194
(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 97149570
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone
CID 70781091
(9aR)-2-[2-(2-chlorophenyl)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 125176540
1-[3-ethyl-4-(8-fluoroquinoline-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 172887326
1-[(3R,4S)-1-(8-fluoroquinoline-2-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697538
2-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50976632

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 95131147) is (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is O=C1NCC(=O)N2CCN(C(=O)c3ccc4cccc(F)c4n3)C[C@H]12.
What is the InChIKey of (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is GIHZHVPTFGWUFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15FN4O3/c18-11-3-1-2-10-4-5-12(20-15(10)11)17(25)21-6-7-22-13(9-21)16(24)19-8-14(22)23/h1-5,13H,6-9H2,(H,19,24)/t13-/m1/s1.
What are the key properties of (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 342.33 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 95131147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).