2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C19H20N4O4 — CID 50973940

IUPAC2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCOc1cc(C(=O)N2CCN3C(=O)CN(C)C(=O)C3C2)c2ccccc2n1
InChIInChI=1S/C19H20N4O4/c1-21-11-17(24)23-8-7-22(10-15(23)19(21)26)18(25)13-9-16(27-2)20-14-6-4-3-5-12(13)14/h3-6,9,15H,7-8,10-11H2,1-2H3
InChIKeyVZNIXMYACCABNQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.37
Rot. Bonds2

About 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 50973940) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID50973940
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCOc1cc(C(=O)N2CCN3C(=O)CN(C)C(=O)C3C2)c2ccccc2n1
InChIInChI=1S/C19H20N4O4/c1-21-11-17(24)23-8-7-22(10-15(23)19(21)26)18(25)13-9-16(27-2)20-14-6-4-3-5-12(13)14/h3-6,9,15H,7-8,10-11H2,1-2H3
InChIKeyVZNIXMYACCABNQ-UHFFFAOYSA-N
XLogP0.37
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Related Compounds

(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553897
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 119068199
[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-methoxyquinolin-4-yl)methanone
CID 134701449
2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 136553678
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583
(9aR)-2-(3-chlorobenzoyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56855960
(9aR)-2-(4-chlorobenzoyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56854909
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
(2-methoxyquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135105873
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 70746098

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 50973940) is 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is COc1cc(C(=O)N2CCN3C(=O)CN(C)C(=O)C3C2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is VZNIXMYACCABNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-21-11-17(24)23-8-7-22(10-15(23)19(21)26)18(25)13-9-16(27-2)20-14-6-4-3-5-12(13)14/h3-6,9,15H,7-8,10-11H2,1-2H3.
What are the key properties of 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 368.39 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 50973940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).