2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C20H26N4O2 — CID 72940848

IUPAC2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCc1ccc(C)c2c(=O)cc(CN3CCN4CCN(C)C(=O)C4C3)[nH]c12
InChIInChI=1S/C20H26N4O2/c1-13-4-5-14(2)19-18(13)17(25)10-15(21-19)11-23-7-9-24-8-6-22(3)20(26)16(24)12-23/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,21,25)
InChIKeySRVISMFFNZVXDZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.10
Rot. Bonds2

About 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 72940848) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID72940848
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCc1ccc(C)c2c(=O)cc(CN3CCN4CCN(C)C(=O)C4C3)[nH]c12
InChIInChI=1S/C20H26N4O2/c1-13-4-5-14(2)19-18(13)17(25)10-15(21-19)11-23-7-9-24-8-6-22(3)20(26)16(24)12-23/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,21,25)
InChIKeySRVISMFFNZVXDZ-UHFFFAOYSA-N
XLogP1.10
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 72940848) is 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is Cc1ccc(C)c2c(=O)cc(CN3CCN4CCN(C)C(=O)C4C3)[nH]c12.
What is the InChIKey of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is SRVISMFFNZVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-4-5-14(2)19-18(13)17(25)10-15(21-19)11-23-7-9-24-8-6-22(3)20(26)16(24)12-23/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,21,25).
What are the key properties of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 354.45 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 72940848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).