1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

C16H24N4O — CID 66469791

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESO=C(C1CCC2CCCCC2N1)N1CCn2ccnc2C1
InChIInChI=1S/C16H24N4O/c21-16(20-10-9-19-8-7-17-15(19)11-20)14-6-5-12-3-1-2-4-13(12)18-14/h7-8,12-14,18H,1-6,9-11H2
InChIKeyDNCLLJYFXNGFCL-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.54
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 66469791) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID66469791
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESO=C(C1CCC2CCCCC2N1)N1CCn2ccnc2C1
InChIInChI=1S/C16H24N4O/c21-16(20-10-9-19-8-7-17-15(19)11-20)14-6-5-12-3-1-2-4-13(12)18-14/h7-8,12-14,18H,1-6,9-11H2
InChIKeyDNCLLJYFXNGFCL-UHFFFAOYSA-N
XLogP1.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 66469791) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is O=C(C1CCC2CCCCC2N1)N1CCn2ccnc2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is DNCLLJYFXNGFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(20-10-9-19-8-7-17-15(19)11-20)14-6-5-12-3-1-2-4-13(12)18-14/h7-8,12-14,18H,1-6,9-11H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 66469791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).