2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid

C24H26N2O5 — CID 45255642

IUPAC2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid
SMILESCCN(Cc1nc2ccccc2cc1-c1cc(CC(=O)O)ccc1OC)C(=O)COC
InChIInChI=1S/C24H26N2O5/c1-4-26(23(27)15-30-2)14-21-18(13-17-7-5-6-8-20(17)25-21)19-11-16(12-24(28)29)9-10-22(19)31-3/h5-11,13H,4,12,14-15H2,1-3H3,(H,28,29)
InChIKeyPIRJIMNCLRGRSJ-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.53
Rot. Bonds9

About 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid

2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid (PubChem CID 45255642) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid
PubChem CID45255642
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid
SMILESCCN(Cc1nc2ccccc2cc1-c1cc(CC(=O)O)ccc1OC)C(=O)COC
InChIInChI=1S/C24H26N2O5/c1-4-26(23(27)15-30-2)14-21-18(13-17-7-5-6-8-20(17)25-21)19-11-16(12-24(28)29)9-10-22(19)31-3/h5-11,13H,4,12,14-15H2,1-3H3,(H,28,29)
InChIKeyPIRJIMNCLRGRSJ-UHFFFAOYSA-N
XLogP3.53
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid with MolForge

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Related Compounds

ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate
CID 58579958
ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate
CID 58579971
2-[3-[2-[[[2-(4-chlorophenoxy)acetyl]-ethylamino]methyl]-4-quinolin-7-ylphenyl]-4-methoxyphenyl]acetic acid
CID 66607613
2-[3-[2-[[ethyl-(2-phenylsulfanylacetyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148939
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
CID 879607
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
2-[3-[2-[[ethyl(2-methylpropanoyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148904
2-[3-[2-[[benzylcarbamoyl(ethyl)amino]methyl]-5-ethylphenyl]-4-methoxyphenyl]acetic acid
CID 142785786
2-[3-[2-[[[2-(benzenesulfinyl)acetyl]-ethylamino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
CID 66607321
2-[3-[2-[[[benzyl(ethyl)carbamoyl]amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148876
2-[3-[2-[[ethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
CID 54672887
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid (CID 45255642) is 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid is CCN(Cc1nc2ccccc2cc1-c1cc(CC(=O)O)ccc1OC)C(=O)COC.
What is the InChIKey of 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid?
The InChIKey is PIRJIMNCLRGRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-26(23(27)15-30-2)14-21-18(13-17-7-5-6-8-20(17)25-21)19-11-16(12-24(28)29)9-10-22(19)31-3/h5-11,13H,4,12,14-15H2,1-3H3,(H,28,29).
What are the key properties of 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid?
2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid has a molecular weight of 422.48 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 45255642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).