1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride

C19H25ClN2O2 — CID 6603210

IUPAC1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride
SMILESCl.O=C(CC1=NC2(CCCC2)Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H24N2O2.ClH/c22-18(21-9-11-23-12-10-21)13-17-16-6-2-1-5-15(16)14-19(20-17)7-3-4-8-19;/h1-2,5-6H,3-4,7-14H2;1H
InChIKeyQFLFDNCMIIWLSC-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.02
Rot. Bonds2

About 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride

1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride (PubChem CID 6603210) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride
PubChem CID6603210
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride
SMILESCl.O=C(CC1=NC2(CCCC2)Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H24N2O2.ClH/c22-18(21-9-11-23-12-10-21)13-17-16-6-2-1-5-15(16)14-19(20-17)7-3-4-8-19;/h1-2,5-6H,3-4,7-14H2;1H
InChIKeyQFLFDNCMIIWLSC-UHFFFAOYSA-N
XLogP3.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dihydro-4-methyl-2-(2-morpholinoethyl)-6-phenyl-, hydrochloride
CID 208811
3,3-Diethyl-1-[2-(4-morpholinyl)-2-oxoethyl]-3,4-dihydroisoquinoline sulfate
CID 2853120
4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one
CID 46230958
Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(2-(4-morpholinyl)ethyl)-, dihydrochloride
CID 3079741
2-(3,3-Diethyl-3,4-dihydroisoquinolin-1-yl)-1-(morpholin-4-yl)ethanone
CID 672430
1-(morpholin-4-yl)-2-(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)ethanone
CID 659836
Morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone
CID 70983578
1-[5-(3-Fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
CID 173025846
1-[5-(4-Fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
CID 173025875
1-[5-(2,5-Difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
CID 173025898
(2R,3S)-3-(benzhydrylideneamino)-1-morpholin-4-yl-2-phenylhex-5-en-1-one
CID 122398289
(2R,3S)-3-(benzhydrylideneamino)-2-cyclohexyl-1-morpholin-4-ylhex-5-en-1-one
CID 122398294

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride (CID 6603210) is 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride is Cl.O=C(CC1=NC2(CCCC2)Cc2ccccc21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride?
The InChIKey is QFLFDNCMIIWLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c22-18(21-9-11-23-12-10-21)13-17-16-6-2-1-5-15(16)14-19(20-17)7-3-4-8-19;/h1-2,5-6H,3-4,7-14H2;1H.
What are the key properties of 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride?
1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone;hydrochloride is sourced from PubChem (CID 6603210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).