2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C20H24N4O3 — CID 50982689

IUPAC2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCN2CCNC(=O)C2C1
InChIInChI=1S/C20H24N4O3/c1-13-14(19(26)15-4-2-3-5-16(15)22-13)6-7-18(25)24-11-10-23-9-8-21-20(27)17(23)12-24/h2-5,17H,6-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyFZDQZPOZNQTULE-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.41
Rot. Bonds3

About 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 50982689) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID50982689
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCN2CCNC(=O)C2C1
InChIInChI=1S/C20H24N4O3/c1-13-14(19(26)15-4-2-3-5-16(15)22-13)6-7-18(25)24-11-10-23-9-8-21-20(27)17(23)12-24/h2-5,17H,6-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyFZDQZPOZNQTULE-UHFFFAOYSA-N
XLogP0.41
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124755147
3-[3-[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124752091
2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50979999
3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46977608
2-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 77083820
(9aS)-2-(2-pyrrol-1-ylacetyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95123348
9-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074099
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110397400
2-[4-(2-methylimidazol-1-yl)butanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50970432
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
(9aR)-8-methyl-2-[2-(2-methyl-1H-indol-3-yl)acetyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95207457
2-(2-methoxy-6-methylbenzoyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50985377

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 50982689) is 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is Cc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCN2CCNC(=O)C2C1.
What is the InChIKey of 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is FZDQZPOZNQTULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-14(19(26)15-4-2-3-5-16(15)22-13)6-7-18(25)24-11-10-23-9-8-21-20(27)17(23)12-24/h2-5,17H,6-12H2,1H3,(H,21,27)(H,22,26).
What are the key properties of 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 368.44 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50982689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).