(7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C20H24N4O2 — CID 56860265

IUPAC(7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc4ncccc4c3)CCN2C1=O
InChIInChI=1S/C20H24N4O2/c1-2-4-17-20(26)24-10-9-23(13-18(24)19(25)22-17)12-14-6-7-16-15(11-14)5-3-8-21-16/h3,5-8,11,17-18H,2,4,9-10,12-13H2,1H3,(H,22,25)/t17-,18+/m0/s1
InChIKeyGHCSGPCYTIGLMJ-ZWKOTPCHSA-N
MW352.44 g/mol
LogP1.55
Rot. Bonds4

About (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56860265) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56860265
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc4ncccc4c3)CCN2C1=O
InChIInChI=1S/C20H24N4O2/c1-2-4-17-20(26)24-10-9-23(13-18(24)19(25)22-17)12-14-6-7-16-15(11-14)5-3-8-21-16/h3,5-8,11,17-18H,2,4,9-10,12-13H2,1H3,(H,22,25)/t17-,18+/m0/s1
InChIKeyGHCSGPCYTIGLMJ-ZWKOTPCHSA-N
XLogP1.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 56860265) is (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CCC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc4ncccc4c3)CCN2C1=O.
What is the InChIKey of (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is GHCSGPCYTIGLMJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-4-17-20(26)24-10-9-23(13-18(24)19(25)22-17)12-14-6-7-16-15(11-14)5-3-8-21-16/h3,5-8,11,17-18H,2,4,9-10,12-13H2,1H3,(H,22,25)/t17-,18+/m0/s1.
What are the key properties of (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 352.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-7-propyl-2-(quinolin-6-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56860265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).