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

C16H15FN2O2 — CID 105381733

IUPAC3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCc2ccccc2N1c1nccc(C(=O)O)c1F
InChIInChI=1S/C16H15FN2O2/c1-10-6-7-11-4-2-3-5-13(11)19(10)15-14(17)12(16(20)21)8-9-18-15/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyVAMZRYLKPNMMFA-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.39
Rot. Bonds2

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

3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid (PubChem CID 105381733) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid
PubChem CID105381733
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCc2ccccc2N1c1nccc(C(=O)O)c1F
InChIInChI=1S/C16H15FN2O2/c1-10-6-7-11-4-2-3-5-13(11)19(10)15-14(17)12(16(20)21)8-9-18-15/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyVAMZRYLKPNMMFA-UHFFFAOYSA-N
XLogP3.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63528516
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
CID 83180870
2-(2,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105382715
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide
CID 62684204
3-fluoro-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 102781599
2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 114086983
3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 105381703
2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105381860
(3-fluoro-4-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115645498
1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 61257602
[4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]methanol
CID 61254539
3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382525

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid (CID 105381733) is 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid is CC1CCc2ccccc2N1c1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is VAMZRYLKPNMMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-6-7-11-4-2-3-5-13(11)19(10)15-14(17)12(16(20)21)8-9-18-15/h2-5,8-10H,6-7H2,1H3,(H,20,21).
What are the key properties of 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid?
3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 105381733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).