1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one

C19H25N3O — CID 24845957

IUPAC1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(C[C@H]2CCCN3CCCC[C@H]23)c1=O
InChIInChI=1S/C19H25N3O/c1-14-19(23)22(18-10-3-2-8-16(18)20-14)13-15-7-6-12-21-11-5-4-9-17(15)21/h2-3,8,10,15,17H,4-7,9,11-13H2,1H3/t15-,17-/m1/s1
InChIKeySVUOFGBEINRGJJ-NVXWUHKLSA-N
MW311.43 g/mol
LogP2.97
Rot. Bonds2

About 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one

1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one (PubChem CID 24845957) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one
PubChem CID24845957
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(C[C@H]2CCCN3CCCC[C@H]23)c1=O
InChIInChI=1S/C19H25N3O/c1-14-19(23)22(18-10-3-2-8-16(18)20-14)13-15-7-6-12-21-11-5-4-9-17(15)21/h2-3,8,10,15,17H,4-7,9,11-13H2,1H3/t15-,17-/m1/s1
InChIKeySVUOFGBEINRGJJ-NVXWUHKLSA-N
XLogP2.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one (CID 24845957) is 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(C[C@H]2CCCN3CCCC[C@H]23)c1=O.
What is the InChIKey of 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one?
The InChIKey is SVUOFGBEINRGJJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-19(23)22(18-10-3-2-8-16(18)20-14)13-15-7-6-12-21-11-5-4-9-17(15)21/h2-3,8,10,15,17H,4-7,9,11-13H2,1H3/t15-,17-/m1/s1.
What are the key properties of 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one?
1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 24845957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).