3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid

C23H24N2O6 — CID 139010405

IUPAC3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)CCc2cc3ccccc3[nH]c2=O)cc1OC
InChIInChI=1S/C23H24N2O6/c1-30-19-9-7-15(12-20(19)31-2)18(13-22(27)28)24-21(26)10-8-16-11-14-5-3-4-6-17(14)25-23(16)29/h3-7,9,11-12,18H,8,10,13H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)
InChIKeyXFPXGBIVYKOTPG-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.81
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid

3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid (PubChem CID 139010405) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid
PubChem CID139010405
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)CCc2cc3ccccc3[nH]c2=O)cc1OC
InChIInChI=1S/C23H24N2O6/c1-30-19-9-7-15(12-20(19)31-2)18(13-22(27)28)24-21(26)10-8-16-11-14-5-3-4-6-17(14)25-23(16)29/h3-7,9,11-12,18H,8,10,13H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)
InChIKeyXFPXGBIVYKOTPG-UHFFFAOYSA-N
XLogP2.81
TPSA117.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic 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

3-(3,4-dimethoxyphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 45433011
3-(3,4-dimethoxyphenyl)-3-[3-(1H-indol-5-yl)propanoylamino]propanoic acid
CID 120512445
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
(3S)-3-(3,4-dimethoxyphenyl)-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 97201701
N-(5-chloro-2-methoxyphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110356008
3-(3,4-dimethoxyphenyl)-3-(4-methoxypentanoylamino)propanoic acid
CID 120512487
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110298844
(3R)-3-(3,4-dimethoxyphenyl)-3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 97209272
3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid
CID 166226957
3-(3,4-dimethoxyphenyl)-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119166971
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid (CID 139010405) is 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)CCc2cc3ccccc3[nH]c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid?
The InChIKey is XFPXGBIVYKOTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-30-19-9-7-15(12-20(19)31-2)18(13-22(27)28)24-21(26)10-8-16-11-14-5-3-4-6-17(14)25-23(16)29/h3-7,9,11-12,18H,8,10,13H2,1-2H3,(H,24,26)(H,25,29)(H,27,28).
What are the key properties of 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid?
3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid has a molecular weight of 424.45 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 139010405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).