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

C17H18N2O2 — CID 154131072

IUPAC1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN2c3ccccc3CCC2C1
InChIInChI=1S/C17H18N2O2/c20-17(16-6-3-11-21-16)18-9-10-19-14(12-18)8-7-13-4-1-2-5-15(13)19/h1-6,11,14H,7-10,12H2
InChIKeySEGQXSVTXMMYNS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds1

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

1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone (PubChem CID 154131072) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone.

Molecular Properties

Compound Name1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone
PubChem CID154131072
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN2c3ccccc3CCC2C1
InChIInChI=1S/C17H18N2O2/c20-17(16-6-3-11-21-16)18-9-10-19-14(12-18)8-7-13-4-1-2-5-15(13)19/h1-6,11,14H,7-10,12H2
InChIKeySEGQXSVTXMMYNS-UHFFFAOYSA-N
XLogP2.56
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone with MolForge

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Related Compounds

[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 124711878
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 136543800
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
3,4-dihydro-1H-isoquinolin-2-yl-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 46515588
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 32615042
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 37376175

Frequently Asked Questions

What is the IUPAC name of 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone?
The IUPAC name of 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone (CID 154131072) is 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone.
What is the SMILES notation for 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone?
The canonical SMILES for 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone is O=C(c1ccco1)N1CCN2c3ccccc3CCC2C1.
What is the InChIKey of 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone?
The InChIKey is SEGQXSVTXMMYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(16-6-3-11-21-16)18-9-10-19-14(12-18)8-7-13-4-1-2-5-15(13)19/h1-6,11,14H,7-10,12H2.
What are the key properties of 1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone?
1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl(furan-2-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 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(furan-2-yl)methanone is sourced from PubChem (CID 154131072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).