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

C19H13F3N2O3 — CID 18073617

IUPAC7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccccc3C(F)(F)F)nc2c1
InChIInChI=1S/C19H13F3N2O3/c1-10(25)23-11-6-7-12-14(18(26)27)9-17(24-16(12)8-11)13-4-2-3-5-15(13)19(20,21)22/h2-9H,1H3,(H,23,25)(H,26,27)
InChIKeyBXMLOKINGIUAFH-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.58
Rot. Bonds3

About 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 18073617) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
PubChem CID18073617
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccccc3C(F)(F)F)nc2c1
InChIInChI=1S/C19H13F3N2O3/c1-10(25)23-11-6-7-12-14(18(26)27)9-17(24-16(12)8-11)13-4-2-3-5-15(13)19(20,21)22/h2-9H,1H3,(H,23,25)(H,26,27)
InChIKeyBXMLOKINGIUAFH-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

7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
CID 18073623
7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 18073634
6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 4021032
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 5179374
N-(5-acetamido-2-chlorophenyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55915451
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220779
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (CID 18073617) is 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is CC(=O)Nc1ccc2c(C(=O)O)cc(-c3ccccc3C(F)(F)F)nc2c1.
What is the InChIKey of 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is BXMLOKINGIUAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-10(25)23-11-6-7-12-14(18(26)27)9-17(24-16(12)8-11)13-4-2-3-5-15(13)19(20,21)22/h2-9H,1H3,(H,23,25)(H,26,27).
What are the key properties of 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
7-acetamido-2-[2-(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 7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 18073617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).