2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H18FNO2 — CID 110636958

IUPAC2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)Cc1ccc(F)cc1)CCC2O
InChIInChI=1S/C18H18FNO2/c1-12-3-2-4-15-16(21)9-10-20(18(12)15)17(22)11-13-5-7-14(19)8-6-13/h2-8,16,21H,9-11H2,1H3
InChIKeyJNYIRGUACHFBGB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.15
Rot. Bonds2

About 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 110636958) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID110636958
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)Cc1ccc(F)cc1)CCC2O
InChIInChI=1S/C18H18FNO2/c1-12-3-2-4-15-16(21)9-10-20(18(12)15)17(22)11-13-5-7-14(19)8-6-13/h2-8,16,21H,9-11H2,1H3
InChIKeyJNYIRGUACHFBGB-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636961
1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110636963
(2-fluorophenyl)-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636941
2-(4-fluorophenyl)-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]ethanone
CID 90631191
(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 110636985
1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637024
2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 35371198
1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 128707688
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
CID 110709445
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269211

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 110636958) is 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cccc2c1N(C(=O)Cc1ccc(F)cc1)CCC2O.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is JNYIRGUACHFBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12-3-2-4-15-16(21)9-10-20(18(12)15)17(22)11-13-5-7-14(19)8-6-13/h2-8,16,21H,9-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 299.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 110636958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).