3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid

C17H16FNO2 — CID 63528516

IUPAC3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
SMILESCC1CCc2ccccc2N1c1c(F)cccc1C(=O)O
InChIInChI=1S/C17H16FNO2/c1-11-9-10-12-5-2-3-8-15(12)19(11)16-13(17(20)21)6-4-7-14(16)18/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyUEFSVKVZGISBAE-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.00
Rot. Bonds2

About 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid

3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid (PubChem CID 63528516) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
PubChem CID63528516
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
SMILESCC1CCc2ccccc2N1c1c(F)cccc1C(=O)O
InChIInChI=1S/C17H16FNO2/c1-11-9-10-12-5-2-3-8-15(12)19(11)16-13(17(20)21)6-4-7-14(16)18/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyUEFSVKVZGISBAE-UHFFFAOYSA-N
XLogP4.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid
CID 105381733
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
CID 83180870
1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 43101076
(1S)-1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78930955
(3-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951376
(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500021
2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 55101340
2-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorobenzoic acid
CID 63537032
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
CID 104528189
3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 43657710
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The IUPAC name of 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid (CID 63528516) is 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The canonical SMILES for 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid is CC1CCc2ccccc2N1c1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The InChIKey is UEFSVKVZGISBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-9-10-12-5-2-3-8-15(12)19(11)16-13(17(20)21)6-4-7-14(16)18/h2-8,11H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid has a molecular weight of 285.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid is sourced from PubChem (CID 63528516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).