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

C20H28N2O2 — CID 143724846

IUPAC[(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone
SMILESO=C([C@H]1COCCN1)N1CC[C@H](c2ccccc2)C2CCCC[C@H]21
InChIInChI=1S/C20H28N2O2/c23-20(18-14-24-13-11-21-18)22-12-10-16(15-6-2-1-3-7-15)17-8-4-5-9-19(17)22/h1-3,6-7,16-19,21H,4-5,8-14H2/t16-,17?,18-,19-/m1/s1
InChIKeyYSVRBHJEJZRLPP-CEBOQPEMSA-N
MW328.46 g/mol
LogP2.55
Rot. Bonds2

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

[(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone (PubChem CID 143724846) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone.

Molecular Properties

Compound Name[(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone
PubChem CID143724846
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone
SMILESO=C([C@H]1COCCN1)N1CC[C@H](c2ccccc2)C2CCCC[C@H]21
InChIInChI=1S/C20H28N2O2/c23-20(18-14-24-13-11-21-18)22-12-10-16(15-6-2-1-3-7-15)17-8-4-5-9-19(17)22/h1-3,6-7,16-19,21H,4-5,8-14H2/t16-,17?,18-,19-/m1/s1
InChIKeyYSVRBHJEJZRLPP-CEBOQPEMSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119806905
(4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl)-[(3R)-morpholin-3-yl]methanone
CID 57445839
[(2R)-2-methylpiperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 96998627
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-isoquinolin-1-ylmethanone
CID 71085951
3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119669619
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
CID 71085864
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012
2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid
CID 106742878
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-quinolin-8-ylmethanone
CID 71085948
(3-phenyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(thian-4-yl)methanone
CID 166224667
1-[(4R,4aR,9aR)-4-phenyl-2,3,4,4a,5,6,7,8,9,9a-decahydropyrido[3,2-b]azepin-1-yl]propan-1-one
CID 92585418
imidazo[1,5-a]pyrimidin-6-yl-(4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 143724923

Frequently Asked Questions

What is the IUPAC name of [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone?
The IUPAC name of [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone (CID 143724846) is [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone.
What is the SMILES notation for [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone?
The canonical SMILES for [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone is O=C([C@H]1COCCN1)N1CC[C@H](c2ccccc2)C2CCCC[C@H]21.
What is the InChIKey of [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone?
The InChIKey is YSVRBHJEJZRLPP-CEBOQPEMSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(18-14-24-13-11-21-18)22-12-10-16(15-6-2-1-3-7-15)17-8-4-5-9-19(17)22/h1-3,6-7,16-19,21H,4-5,8-14H2/t16-,17?,18-,19-/m1/s1.
What are the key properties of [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone?
[(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-morpholin-3-yl]methanone is sourced from PubChem (CID 143724846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).