5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline

C20H19NO — CID 158059223

IUPAC5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline
SMILESc1ccc([C@@H]2CCC[C@@H]2Oc2cccc3cnccc23)cc1
InChIInChI=1S/C20H19NO/c1-2-6-15(7-3-1)17-9-5-11-19(17)22-20-10-4-8-16-14-21-13-12-18(16)20/h1-4,6-8,10,12-14,17,19H,5,9,11H2/t17-,19-/m0/s1
InChIKeyGYNXEPDGMZLVFX-HKUYNNGSSA-N
MW289.38 g/mol
LogP4.95
Rot. Bonds3

About 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline

5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline (PubChem CID 158059223) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline.

Molecular Properties

Compound Name5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline
PubChem CID158059223
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline
SMILESc1ccc([C@@H]2CCC[C@@H]2Oc2cccc3cnccc23)cc1
InChIInChI=1S/C20H19NO/c1-2-6-15(7-3-1)17-9-5-11-19(17)22-20-10-4-8-16-14-21-13-12-18(16)20/h1-4,6-8,10,12-14,17,19H,5,9,11H2/t17-,19-/m0/s1
InChIKeyGYNXEPDGMZLVFX-HKUYNNGSSA-N
XLogP4.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
CT 1730; GR 259653X
CID 89809670
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
(3-Pyridylmethylene)indane 26a
CID 6539776

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline?
The IUPAC name of 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline (CID 158059223) is 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline.
What is the SMILES notation for 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline?
The canonical SMILES for 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline is c1ccc([C@@H]2CCC[C@@H]2Oc2cccc3cnccc23)cc1.
What is the InChIKey of 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline?
The InChIKey is GYNXEPDGMZLVFX-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-6-15(7-3-1)17-9-5-11-19(17)22-20-10-4-8-16-14-21-13-12-18(16)20/h1-4,6-8,10,12-14,17,19H,5,9,11H2/t17-,19-/m0/s1.
What are the key properties of 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline?
5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline has a molecular weight of 289.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline is sourced from PubChem (CID 158059223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).