5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one

C20H30N2O4 — CID 56889438

IUPAC5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCOCC2)occ1OC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C20H30N2O4/c23-19-12-17(13-21-8-10-24-11-9-21)25-15-20(19)26-14-16-4-3-7-22-6-2-1-5-18(16)22/h12,15-16,18H,1-11,13-14H2/t16-,18+/m0/s1
InChIKeyMEHLETJYXRZVHM-FUHWJXTLSA-N
MW362.47 g/mol
LogP2.12
Rot. Bonds5

About 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one

5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one (PubChem CID 56889438) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one
PubChem CID56889438
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCOCC2)occ1OC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C20H30N2O4/c23-19-12-17(13-21-8-10-24-11-9-21)25-15-20(19)26-14-16-4-3-7-22-6-2-1-5-18(16)22/h12,15-16,18H,1-11,13-14H2/t16-,18+/m0/s1
InChIKeyMEHLETJYXRZVHM-FUHWJXTLSA-N
XLogP2.12
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one?
The IUPAC name of 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one (CID 56889438) is 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one.
What is the SMILES notation for 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one?
The canonical SMILES for 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one is O=c1cc(CN2CCOCC2)occ1OC[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one?
The InChIKey is MEHLETJYXRZVHM-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H30N2O4/c23-19-12-17(13-21-8-10-24-11-9-21)25-15-20(19)26-14-16-4-3-7-22-6-2-1-5-18(16)22/h12,15-16,18H,1-11,13-14H2/t16-,18+/m0/s1.
What are the key properties of 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one?
5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one has a molecular weight of 362.47 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-(morpholin-4-ylmethyl)pyran-4-one is sourced from PubChem (CID 56889438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).