[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone

C20H21FN2O2 — CID 110288946

IUPAC[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCc2ccccc2C1c1ccccc1F
InChIInChI=1S/C20H21FN2O2/c21-18-8-4-3-7-17(18)19-16-6-2-1-5-15(16)9-10-23(19)20(24)22-11-13-25-14-12-22/h1-8,19H,9-14H2
InChIKeyKHWNSGWDUNMOKG-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.23
Rot. Bonds1

About [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone

[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110288946) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone
PubChem CID110288946
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCc2ccccc2C1c1ccccc1F
InChIInChI=1S/C20H21FN2O2/c21-18-8-4-3-7-17(18)19-16-6-2-1-5-15(16)9-10-23(19)20(24)22-11-13-25-14-12-22/h1-8,19H,9-14H2
InChIKeyKHWNSGWDUNMOKG-UHFFFAOYSA-N
XLogP3.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
1-azabicyclo[2.2.2]octan-3-yl (1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 46847868
(2R,4R)-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-morpholin-4-ylpiperidine-1-carboxamide;hydrochloride
CID 44532930
2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 164609787
1-azabicyclo[2.2.2]octan-3-yl (1R)-1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 164628854
1,1-Dimethyl-3-[3-(4-morpholinyl)propyl]-3-(1-naphthalenylmethyl)urea
CID 3438105
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)morpholine-4-carboxamide
CID 121661890
(1S)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138690094
US11485731, Example 1BU
CID 142428207
4-[(7,8-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl]morpholine
CID 24901537
(4-Benzhydrylpiperazin-1-yl)(morpholino)methanone
CID 1186382
2-(2-Ethoxy-ethyl)-1-phenyl-1,2,3,4-tetrahydro-isoquinoline
CID 14548156

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone (CID 110288946) is [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCc2ccccc2C1c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is KHWNSGWDUNMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-8-4-3-7-17(18)19-16-6-2-1-5-15(16)9-10-23(19)20(24)22-11-13-25-14-12-22/h1-8,19H,9-14H2.
What are the key properties of [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone?
[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 340.40 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110288946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).