6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

C19H13F3N2O3 — CID 18073448

IUPAC6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H13F3N2O3/c1-10(25)23-13-5-6-16-14(8-13)15(18(26)27)9-17(24-16)11-3-2-4-12(7-11)19(20,21)22/h2-9H,1H3,(H,23,25)(H,26,27)
InChIKeyXXPMCAAFZJWFAO-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.58
Rot. Bonds3

About 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 18073448) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
PubChem CID18073448
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H13F3N2O3/c1-10(25)23-13-5-6-16-14(8-13)15(18(26)27)9-17(24-16)11-3-2-4-12(7-11)19(20,21)22/h2-9H,1H3,(H,23,25)(H,26,27)
InChIKeyXXPMCAAFZJWFAO-UHFFFAOYSA-N
XLogP4.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
methyl 6-methylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 151693176
6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073443
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 6-bromo-2-phenylquinoline-4-carboxylate
CID 2402583
2-[4-(3-ethoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380369
6-bromo-2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]quinoline-4-carboxylic acid
CID 51368422
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 160851674
7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617
2-[4-[4-(ethylamino)phenyl]-3-fluorophenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547433

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (CID 18073448) is 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is CC(=O)Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is XXPMCAAFZJWFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-10(25)23-13-5-6-16-14(8-13)15(18(26)27)9-17(24-16)11-3-2-4-12(7-11)19(20,21)22/h2-9H,1H3,(H,23,25)(H,26,27).
What are the key properties of 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 374.32 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 18073448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).