7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid

C18H12F3NO4 — CID 18073526

IUPAC7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)cc(-c3ccc(OC(F)(F)F)cc3)nc2c1
InChIInChI=1S/C18H12F3NO4/c1-25-12-6-7-13-14(17(23)24)9-15(22-16(13)8-12)10-2-4-11(5-3-10)26-18(19,20)21/h2-9H,1H3,(H,23,24)
InChIKeyAMPVAZFSFORAEY-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.51
Rot. Bonds4

About 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid

7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid (PubChem CID 18073526) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
PubChem CID18073526
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC Name7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)cc(-c3ccc(OC(F)(F)F)cc3)nc2c1
InChIInChI=1S/C18H12F3NO4/c1-25-12-6-7-13-14(17(23)24)9-15(22-16(13)8-12)10-2-4-11(5-3-10)26-18(19,20)21/h2-9H,1H3,(H,23,24)
InChIKeyAMPVAZFSFORAEY-UHFFFAOYSA-N
XLogP4.51
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-tert-butylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442478
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442508
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4223701
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
CID 162785666
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3918730
8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073731

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid (CID 18073526) is 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid is COc1ccc2c(C(=O)O)cc(-c3ccc(OC(F)(F)F)cc3)nc2c1.
What is the InChIKey of 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The InChIKey is AMPVAZFSFORAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4/c1-25-12-6-7-13-14(17(23)24)9-15(22-16(13)8-12)10-2-4-11(5-3-10)26-18(19,20)21/h2-9H,1H3,(H,23,24).
What are the key properties of 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid?
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid has a molecular weight of 363.29 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 18073526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).