1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone

C15H26N2O2 — CID 102726183

IUPAC1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H26N2O2/c18-15(10-13-11-16-7-9-19-13)17-8-3-5-12-4-1-2-6-14(12)17/h12-14,16H,1-11H2/t12-,13?,14-/m1/s1
InChIKeyLCRUEIHSIFLXPM-WYAMFQBQSA-N
MW266.38 g/mol
LogP1.55
Rot. Bonds2

About 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone

1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone (PubChem CID 102726183) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone
PubChem CID102726183
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H26N2O2/c18-15(10-13-11-16-7-9-19-13)17-8-3-5-12-4-1-2-6-14(12)17/h12-14,16H,1-11H2/t12-,13?,14-/m1/s1
InChIKeyLCRUEIHSIFLXPM-WYAMFQBQSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone?
The IUPAC name of 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone (CID 102726183) is 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone?
The canonical SMILES for 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone?
The InChIKey is LCRUEIHSIFLXPM-WYAMFQBQSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(10-13-11-16-7-9-19-13)17-8-3-5-12-4-1-2-6-14(12)17/h12-14,16H,1-11H2/t12-,13?,14-/m1/s1.
What are the key properties of 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone?
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone has a molecular weight of 266.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone is sourced from PubChem (CID 102726183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).