2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

C22H22N4O3 — CID 171398196

IUPAC2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CN(Cc3ccc4ccccc4n3)CCN2C(=O)CN1Cc1ccco1
InChIInChI=1S/C22H22N4O3/c27-21-15-25(13-18-5-3-11-29-18)22(28)20-14-24(9-10-26(20)21)12-17-8-7-16-4-1-2-6-19(16)23-17/h1-8,11,20H,9-10,12-15H2
InChIKeyFBZKPBGZDRXRHG-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.88
Rot. Bonds4

About 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398196) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
PubChem CID171398196
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CN(Cc3ccc4ccccc4n3)CCN2C(=O)CN1Cc1ccco1
InChIInChI=1S/C22H22N4O3/c27-21-15-25(13-18-5-3-11-29-18)22(28)20-14-24(9-10-26(20)21)12-17-8-7-16-4-1-2-6-19(16)23-17/h1-8,11,20H,9-10,12-15H2
InChIKeyFBZKPBGZDRXRHG-UHFFFAOYSA-N
XLogP1.88
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylindol-3-yl)methyl]-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398449
2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398402
2-(naphthalen-2-ylmethyl)-8-(quinolin-3-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398287
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
CID 46981331
2-[(4-phenylphenyl)methyl]-8-(quinolin-7-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398478
(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368680
2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398177
2-(quinolin-3-ylmethyl)-8-(quinolin-8-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398183
[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 46547011
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 164698384
2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929494

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398196) is 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is O=C1C2CN(Cc3ccc4ccccc4n3)CCN2C(=O)CN1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The InChIKey is FBZKPBGZDRXRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21-15-25(13-18-5-3-11-29-18)22(28)20-14-24(9-10-26(20)21)12-17-8-7-16-4-1-2-6-19(16)23-17/h1-8,11,20H,9-10,12-15H2.
What are the key properties of 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 390.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).