(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

C17H16FNO3 — CID 127024642

IUPAC(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@H]1CCc2ccccc2N1C(=O)c1cc(F)c(O)cc1O
InChIInChI=1S/C17H16FNO3/c1-10-6-7-11-4-2-3-5-14(11)19(10)17(22)12-8-13(18)16(21)9-15(12)20/h2-5,8-10,20-21H,6-7H2,1H3/t10-/m0/s1
InChIKeyIAOKECPRCAJJLW-JTQLQIEISA-N
MW301.32 g/mol
LogP3.22
Rot. Bonds1

About (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 127024642) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID127024642
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@H]1CCc2ccccc2N1C(=O)c1cc(F)c(O)cc1O
InChIInChI=1S/C17H16FNO3/c1-10-6-7-11-4-2-3-5-14(11)19(10)17(22)12-8-13(18)16(21)9-15(12)20/h2-5,8-10,20-21H,6-7H2,1H3/t10-/m0/s1
InChIKeyIAOKECPRCAJJLW-JTQLQIEISA-N
XLogP3.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115645498
(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone
CID 123147441
(3-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951376
(2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103758948
[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 95898234
(5-amino-1H-pyrazol-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43337139
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 59421280
2,3-dihydro-1,4-dioxin-5-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765978
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71970640
1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765907

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 127024642) is (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone is C[C@H]1CCc2ccccc2N1C(=O)c1cc(F)c(O)cc1O.
What is the InChIKey of (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is IAOKECPRCAJJLW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16FNO3/c1-10-6-7-11-4-2-3-5-14(11)19(10)17(22)12-8-13(18)16(21)9-15(12)20/h2-5,8-10,20-21H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 301.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 127024642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).