2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid

C22H18N2O6 — CID 11165656

IUPAC2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCC(=O)O)ccc34)ccc12
InChIInChI=1S/C22H18N2O6/c1-12-21(22(27)23-2)16-6-4-14(10-19(16)29-12)30-18-7-8-24-17-9-13(3-5-15(17)18)28-11-20(25)26/h3-10H,11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyFJCSSBFEHFRFDR-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.90
Rot. Bonds6

About 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid

2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid (PubChem CID 11165656) has the molecular formula C22H18N2O6 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
PubChem CID11165656
Molecular FormulaC22H18N2O6
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCC(=O)O)ccc34)ccc12
InChIInChI=1S/C22H18N2O6/c1-12-21(22(27)23-2)16-6-4-14(10-19(16)29-12)30-18-7-8-24-17-9-13(3-5-15(17)18)28-11-20(25)26/h3-10H,11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyFJCSSBFEHFRFDR-UHFFFAOYSA-N
XLogP3.90
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid with MolForge

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Related Compounds

6-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 143070677
N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 11418728
N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide
CID 59730751
6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114801
N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115018
6-[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 20767846
6-[7-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 46175197
6-[6-(dihydroxymethyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178115189
6-(7-hydroxy-6-methoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 172990449
6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 66619047
6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane
CID 143892681

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid?
The IUPAC name of 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid (CID 11165656) is 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid?
The canonical SMILES for 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCC(=O)O)ccc34)ccc12.
What is the InChIKey of 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid?
The InChIKey is FJCSSBFEHFRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6/c1-12-21(22(27)23-2)16-6-4-14(10-19(16)29-12)30-18-7-8-24-17-9-13(3-5-15(17)18)28-11-20(25)26/h3-10H,11H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid?
2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid has a molecular weight of 406.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid is sourced from PubChem (CID 11165656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).