3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid

C19H14F3NO3 — CID 170330476

IUPAC3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C19H14F3NO3/c20-19(21,22)26-14-8-5-12(6-9-14)17-11-13(7-10-18(24)25)15-3-1-2-4-16(15)23-17/h1-6,8-9,11H,7,10H2,(H,24,25)
InChIKeyKXYYMNSFQVFZNG-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.82
Rot. Bonds5

About 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid

3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid (PubChem CID 170330476) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid
PubChem CID170330476
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C19H14F3NO3/c20-19(21,22)26-14-8-5-12(6-9-14)17-11-13(7-10-18(24)25)15-3-1-2-4-16(15)23-17/h1-6,8-9,11H,7,10H2,(H,24,25)
InChIKeyKXYYMNSFQVFZNG-UHFFFAOYSA-N
XLogP4.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330550
3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid
CID 170330558
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
CID 162785666
4-[4-(4-methylquinolin-2-yl)phenoxy]butanoic acid
CID 17466697
3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
CID 103485252
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentanoic acid
CID 68891418
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
3-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propanoic acid
CID 134621121

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid?
The IUPAC name of 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid (CID 170330476) is 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid is O=C(O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccccc12.
What is the InChIKey of 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid?
The InChIKey is KXYYMNSFQVFZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c20-19(21,22)26-14-8-5-12(6-9-14)17-11-13(7-10-18(24)25)15-3-1-2-4-16(15)23-17/h1-6,8-9,11H,7,10H2,(H,24,25).
What are the key properties of 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid?
3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid has a molecular weight of 361.32 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid is sourced from PubChem (CID 170330476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).