1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone

C20H22N2O — CID 154143792

IUPAC1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN3c4ccccc4CCC3C2)cc1
InChIInChI=1S/C20H22N2O/c1-15-6-8-17(9-7-15)20(23)21-12-13-22-18(14-21)11-10-16-4-2-3-5-19(16)22/h2-9,18H,10-14H2,1H3
InChIKeyAQSRUJLNWZOVFO-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.27
Rot. Bonds1

About 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone

1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone (PubChem CID 154143792) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone
PubChem CID154143792
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN3c4ccccc4CCC3C2)cc1
InChIInChI=1S/C20H22N2O/c1-15-6-8-17(9-7-15)20(23)21-12-13-22-18(14-21)11-10-16-4-2-3-5-19(16)22/h2-9,18H,10-14H2,1H3
InChIKeyAQSRUJLNWZOVFO-UHFFFAOYSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone
CID 154131072
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)benzoic acid
CID 82856451
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 121153399
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
2-(4-fluoro-3-methylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857067
6-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-3-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757432
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-3-carboxamide
CID 55622704
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol
CID 21116508
(7R,9aR)-7-methyl-2-(4-methylbenzoyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461146
[4-[(3S)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 162582205

Frequently Asked Questions

What is the IUPAC name of 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone?
The IUPAC name of 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone (CID 154143792) is 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone?
The canonical SMILES for 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN3c4ccccc4CCC3C2)cc1.
What is the InChIKey of 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone?
The InChIKey is AQSRUJLNWZOVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-6-8-17(9-7-15)20(23)21-12-13-22-18(14-21)11-10-16-4-2-3-5-19(16)22/h2-9,18H,10-14H2,1H3.
What are the key properties of 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone?
1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone has a molecular weight of 306.41 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 154143792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).