6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid

C21H10ClF6NO4 — CID 11248849

IUPAC6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)c(Oc3ccnc4c(C(F)(F)F)cccc34)cc2OC1C(F)(F)F
InChIInChI=1S/C21H10ClF6NO4/c22-13-7-9-6-11(19(30)31)18(21(26,27)28)33-15(9)8-16(13)32-14-4-5-29-17-10(14)2-1-3-12(17)20(23,24)25/h1-8,18H,(H,30,31)
InChIKeySIAQTCMNHXNKJV-UHFFFAOYSA-N
MW489.76 g/mol
LogP6.49
Rot. Bonds3

About 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid

6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid (PubChem CID 11248849) has the molecular formula C21H10ClF6NO4 and a molecular weight of 489.76 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid
PubChem CID11248849
Molecular FormulaC21H10ClF6NO4
Molecular Weight489.76 g/mol
Exact Mass489.02
IUPAC Name6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)c(Oc3ccnc4c(C(F)(F)F)cccc34)cc2OC1C(F)(F)F
InChIInChI=1S/C21H10ClF6NO4/c22-13-7-9-6-11(19(30)31)18(21(26,27)28)33-15(9)8-16(13)32-14-4-5-29-17-10(14)2-1-3-12(17)20(23,24)25/h1-8,18H,(H,30,31)
InChIKeySIAQTCMNHXNKJV-UHFFFAOYSA-N
XLogP6.49
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.76
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-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 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid (CID 11248849) is 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Cl)c(Oc3ccnc4c(C(F)(F)F)cccc34)cc2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid?
The InChIKey is SIAQTCMNHXNKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10ClF6NO4/c22-13-7-9-6-11(19(30)31)18(21(26,27)28)33-15(9)8-16(13)32-14-4-5-29-17-10(14)2-1-3-12(17)20(23,24)25/h1-8,18H,(H,30,31).
What are the key properties of 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid?
6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid has a molecular weight of 489.76 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)-7-[8-(trifluoromethyl)quinolin-4-yl]oxy-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11248849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).