1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid

C16H15F3N2O2 — CID 135116153

IUPAC1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)C2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H15F3N2O2/c1-9-6-14(21-5-4-10(8-21)15(22)23)12-3-2-11(16(17,18)19)7-13(12)20-9/h2-3,6-7,10H,4-5,8H2,1H3,(H,22,23)
InChIKeyNBFPTTJNMLTLCZ-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.47
Rot. Bonds2

About 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid

1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid (PubChem CID 135116153) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
PubChem CID135116153
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)C2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H15F3N2O2/c1-9-6-14(21-5-4-10(8-21)15(22)23)12-3-2-11(16(17,18)19)7-13(12)20-9/h2-3,6-7,10H,4-5,8H2,1H3,(H,22,23)
InChIKeyNBFPTTJNMLTLCZ-UHFFFAOYSA-N
XLogP3.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
CID 2823571
Ethyl 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
CID 2823589
Ethyl 1-[2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
CID 2823163
1-[6-Methyl-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid
CID 2823590
(4R)-1-ethyl-4-[[methyl-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]amino]methyl]pyrrolidin-2-one
CID 171359749
4-(3-methyl-N-[6-(trifluoromethyl)quinolin-4-yl]anilino)butanoic acid
CID 178305325
4-(3-fluoro-N-[7-(trifluoromethyl)quinolin-4-yl]anilino)butanoic acid
CID 178312411
1-[6-Fluoro-2-phenyl-4-quinolinyl]-4-piperidinecarboxylic acid
CID 13603936
(3R)-1-[(4-aminoquinolin-7-yl)methyl]-2-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 20680570
(3S)-1-[(4-aminoquinolin-7-yl)methyl]-2-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 20680572
1-[2-(Trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylic acid
CID 66833214
2-[1-(2-methylquinolin-4-yl)-4-[(E)-4,4,4-trifluorobut-2-enoyl]piperazin-2-yl]acetic acid
CID 66837107

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid (CID 135116153) is 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid is Cc1cc(N2CCC(C(=O)O)C2)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is NBFPTTJNMLTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-9-6-14(21-5-4-10(8-21)15(22)23)12-3-2-11(16(17,18)19)7-13(12)20-9/h2-3,6-7,10H,4-5,8H2,1H3,(H,22,23).
What are the key properties of 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid?
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 324.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 135116153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).