4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid

C25H23F3N2O5 — CID 155533609

IUPAC4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)cc2c(OC)ccc(OCc3ccc4nc(C(F)(F)F)cc(OC)c4c3)c21
InChIInChI=1S/C25H23F3N2O5/c1-4-9-30-18(24(31)32)11-16-19(33-2)7-8-20(23(16)30)35-13-14-5-6-17-15(10-14)21(34-3)12-22(29-17)25(26,27)28/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,32)
InChIKeyLWGJKXOAIVECNZ-UHFFFAOYSA-N
MW488.46 g/mol
LogP5.91
Rot. Bonds8

About 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid

4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid (PubChem CID 155533609) has the molecular formula C25H23F3N2O5 and a molecular weight of 488.46 g/mol. Its IUPAC name is 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid
PubChem CID155533609
Molecular FormulaC25H23F3N2O5
Molecular Weight488.46 g/mol
Exact Mass488.16
IUPAC Name4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)cc2c(OC)ccc(OCc3ccc4nc(C(F)(F)F)cc(OC)c4c3)c21
InChIInChI=1S/C25H23F3N2O5/c1-4-9-30-18(24(31)32)11-16-19(33-2)7-8-20(23(16)30)35-13-14-5-6-17-15(10-14)21(34-3)12-22(29-17)25(26,27)28/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,32)
InChIKeyLWGJKXOAIVECNZ-UHFFFAOYSA-N
XLogP5.91
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.46
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid?
The IUPAC name of 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid (CID 155533609) is 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid?
The canonical SMILES for 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid is CCCn1c(C(=O)O)cc2c(OC)ccc(OCc3ccc4nc(C(F)(F)F)cc(OC)c4c3)c21.
What is the InChIKey of 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid?
The InChIKey is LWGJKXOAIVECNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O5/c1-4-9-30-18(24(31)32)11-16-19(33-2)7-8-20(23(16)30)35-13-14-5-6-17-15(10-14)21(34-3)12-22(29-17)25(26,27)28/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,32).
What are the key properties of 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid?
4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid has a molecular weight of 488.46 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-1-propylindole-2-carboxylic acid is sourced from PubChem (CID 155533609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).