1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone

C18H24FNO2 — CID 111539902

IUPAC1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone
SMILESCC1c2ccc(F)cc2CCN1C(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H24FNO2/c1-13-16-6-5-15(19)11-14(16)7-10-20(13)17(21)12-18(22)8-3-2-4-9-18/h5-6,11,13,22H,2-4,7-10,12H2,1H3
InChIKeyFYIJOENBDDKRTR-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.36
Rot. Bonds2

About 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone

1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone (PubChem CID 111539902) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone
PubChem CID111539902
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone
SMILESCC1c2ccc(F)cc2CCN1C(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H24FNO2/c1-13-16-6-5-15(19)11-14(16)7-10-20(13)17(21)12-18(22)8-3-2-4-9-18/h5-6,11,13,22H,2-4,7-10,12H2,1H3
InChIKeyFYIJOENBDDKRTR-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone with MolForge

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Related Compounds

1-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 96521690
1-[6-fluoro-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(1-hydroxycyclohexyl)methylamino]ethanone
CID 59396307
2-[(1-hydroxycyclohexyl)methylamino]-1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 59396311
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 97024947
2-[3-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetic acid
CID 167809841
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
CID 111540753
2-(3-fluorophenyl)-1-(6-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)ethanone
CID 110727497
1-[3-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]azepan-2-one
CID 125160342
(2,4-difluorophenyl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954607
1-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone
CID 59396412
[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-5-yl]methanone
CID 97079841
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438432

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone (CID 111539902) is 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone is CC1c2ccc(F)cc2CCN1C(=O)CC1(O)CCCCC1.
What is the InChIKey of 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone?
The InChIKey is FYIJOENBDDKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-13-16-6-5-15(19)11-14(16)7-10-20(13)17(21)12-18(22)8-3-2-4-9-18/h5-6,11,13,22H,2-4,7-10,12H2,1H3.
What are the key properties of 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone?
1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone has a molecular weight of 305.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 111539902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).