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

C19H24N2O2 — CID 659836

IUPAC1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone
SMILESO=C(CC1=NC2(CCCC2)Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H24N2O2/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
InChIKeyAQOUFBQQWTWAOZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.59
Rot. Bonds2

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

1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone (PubChem CID 659836) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone
PubChem CID659836
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone
SMILESO=C(CC1=NC2(CCCC2)Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H24N2O2/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
InChIKeyAQOUFBQQWTWAOZ-UHFFFAOYSA-N
XLogP2.59
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Diethyl-1-[2-(4-morpholinyl)-2-oxoethyl]-3,4-dihydroisoquinoline sulfate
CID 2853120
1-morpholino-2-(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)ethanone hydrochloride
CID 6603210
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
4-Methyl-2-(2-morpholin-4-ylethyl)-6-phenyl-4,5-dihydropyridazin-3-one
CID 208812
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
2-Diazo-1-morpholin-4-yl-2-phenylethanone
CID 166447065

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone?
The IUPAC name of 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone (CID 659836) is 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone is 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?
The InChIKey is AQOUFBQQWTWAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/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.
What are the key properties of 1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone?
1-morpholin-4-yl-2-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylethanone has a molecular weight of 312.41 g/mol, XLogP of 2.59, 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 is sourced from PubChem (CID 659836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).