1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

C23H19F3N2O4 — CID 175625032

IUPAC1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCN2c1cncc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C23H19F3N2O4/c24-23(25,26)32-19-6-3-15(4-7-19)14-31-20-11-18(12-27-13-20)28-9-1-2-16-10-17(22(29)30)5-8-21(16)28/h3-8,10-13H,1-2,9,14H2,(H,29,30)
InChIKeyLQLCFWDFDOHVTH-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.34
Rot. Bonds6

About 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 175625032) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID175625032
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Name1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCN2c1cncc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C23H19F3N2O4/c24-23(25,26)32-19-6-3-15(4-7-19)14-31-20-11-18(12-27-13-20)28-9-1-2-16-10-17(22(29)30)5-8-21(16)28/h3-8,10-13H,1-2,9,14H2,(H,29,30)
InChIKeyLQLCFWDFDOHVTH-UHFFFAOYSA-N
XLogP5.34
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid
CID 175625254
(E)-4-[(3R)-4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholin-3-yl]but-2-enoic acid
CID 151937619
3-(methyldiazenyl)-4-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]benzoic acid
CID 71173697
6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline
CID 70873537
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
[4-(pyridin-3-ylmethylsulfanyl)phenyl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55972855
5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923875
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51129035
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 175625032) is 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is O=C(O)c1ccc2c(c1)CCCN2c1cncc(OCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is LQLCFWDFDOHVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c24-23(25,26)32-19-6-3-15(4-7-19)14-31-20-11-18(12-27-13-20)28-9-1-2-16-10-17(22(29)30)5-8-21(16)28/h3-8,10-13H,1-2,9,14H2,(H,29,30).
What are the key properties of 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 444.41 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 175625032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).